Projects

The research fields of the CRC are divided into four thematic and highly interlinked Research Areas (RAs):

  • RA A studies continuous processes for NP formation and their self-assembly into well-organised optically active porous structures.
  • RA B develops novel SPMs and processes for NP classification with respect to size, shape and surface properties.
  • RA C employs high-end methodologies for the multidimensional characterisation of single NPs, SPMs and particle ensembles with respect to their surfaces, diffusive transport and disperse properties including size, shape as well as porosity.
  • RA D provides models for particle interactions, particle transport and self-assembly. Based on a novel framework of unified balance equations, NP synthesis and their chromatographic separation will be modelled and optimised with respect to structure-property-process functions taking uncertain conditions into account.

Research Area A: Formation of Functional Particles

Principal investigator:

Prof. Dr.-Ing. Doris Segets
Particle Science and Technology, University of Duisburg-Essen (external link)
Prof. Dr. rer. nat. Nicolas Vogel
Institute of Particle Technology (external link)

Researchers:

Biegel, Markus, Nabi Traoré (M. Sc.), Dr. rer. nat. Cornelia Damm

Project summary:

The objective is the rigorous design of scalable continuous flow synthesis of silver and gold nanoparticles of various sizes, shapes and composition with the aim to produce particles with desired optical properties. The particle formation dynamics is characterised by multidimensional ensemble methods and by high-end techniques on the single particle level. Predictive one- and two-dimensional population balance models for the seed-mediated growth will be established to tailor the formation dynamics. Finally, the synthesis will be coupled with size- and shape-selective chromatography.

Publications:

  • J. S. Seifert, N. Nees, H. Khan, N. E. Traoré, D. Drobek, W. Peukert, B. Apeleo Zubiri, E. Spiecker, M. Stingl, L. Pflug and R. N. Klupp Taylor, Continuous flow synthesis and simulation-supported investigation of tunable plasmonic gold patchy nanoparticles. Nanoscale 2024, 16 (41), 19284-19297 (Project A01, A03, C05, D03, D05).
  • W. Wu, P. K. Chittem, F. Meißner, C. Damm, W. Peukert and A. P. Fröba, Determination of Translational and Rotational Diffusivities of Anisotropic Nanoparticles by Heterodyne Polarized and Depolarized Dynamic Light Scattering. The Journal of Physical Chemistry C 2024, 128 (22), 9116-9129 (Project A01, C03).
  • N. E. Traoré, M. Berthold, L. Hartmann, P. Schmul, B. Apeleo Zubiri, E. Spiecker and W. Peukert, Tailoring the Reaction Pathway for Control of Size and Composition of Silver–Gold Alloy Nanoparticles. The Journal of Physical Chemistry C 2024, 128 (21), 8660-8671 (Project A01, C05).
  • V. Lautenbach, G. Onishchukov, S. E. Wawra, U. Frank, L. Hartmann, W. Peukert and J. Walter, Development of an advanced multiwavelength emission detector for the analytical ultracentrifuge. Nanoscale Advances 2024, 6 (10), 2611-2622 (Project A01, C04).
  • N. E. Traoré, T. Schikarski, A. Körner, P. Cardenas Lopez, L. Hartmann, B. Fritsch, J. Walter, A. Hutzler, L. Pflug and W. Peukert, Mechanistic insights into silver-gold nanoalloy formation by two-dimensional population balance modeling. Chemical Engineering Journal 2024, 149429 (Project A01, C04, D03).
  • L. Gromotka, M. Biegel, C. Damm, N. Traoré, D. Drobek, E. Spiecker and W. Peukert, Combined continuous nanoparticle synthesis with chromatographic size classification. Advanced Powder Technology 2024, 35 (1), 104294 (Project A01, B04, C05).
  • N. E. Traoré, C. Spruck, A. Uihlein, L. Pflug and W. Peukert, Targeted color design of silver–gold alloy nanoparticles. Nanoscale Advances 2024, 6 (5), 1392-1408 (Project A01, D03, D05).
  • Z. Wang, N. E. Traoré, T. Schikarski, L. Stiegler, D. Drobek, B. A. Zubiri, E. Spiecker, J. Walter, W. Peukert, L. Pflug and D. Segets, Population balance modeling of InP formation in an automated synthesis platform. Chemical Engineering Science 2023, 281, 119062 (Project A01, A02, C01, C04, D03).
  • M. Biegel, T. Schikarski, P. Cardenas Lopez, L. Gromotka, C. Lübbert, A. Völkl, C. Damm, J. Walter and W. Peukert, Efficient quenching sheds light on early stages of gold nanoparticle formation. RSC Advances 2023, 13 (26), 18001-18013 (Project A01, C04).
  • M. Distaso and W. Peukert, A biphasic batch and continuous synthesis of hydrophobic gold and silver nanoparticles. Reaction Chemistry & Engineering 2023, 8, 1855 (Project A01).
  • L. Gromotka, C. Lübbert, N. Traoré and W. Peukert, Green and Scalable Fractionation of Gold Nanoclusters by Anion Exchange Chromatography: Proof of Principle and Scale-Up. ACS Applied Nano Materials 2023, 6 (8), 6953–6962 (Project A01, B04, C04).
  • W. Wu, J. Cui, U. Sultan, L. Gromotka, P. Malgaretti, C. Damm, J. Harting, N. Vogel, W. Peukert, A. Inayat and A. P. Fröba, Diffusion of gold nanoparticles in porous silica monoliths determined by dynamic light scattering. Journal of Colloid and Interface Science 2023, 641, 251-264 (Project A01, B01, B04, C03, D02).
  • N. E. Traoré, M. J. Uttinger, P. Cardenas Lopez, D. Drobek, L. Gromotka, J. Schmidt, J. Walter, B. Apeleo Zubiri, E. Spiecker and W. Peukert, Green room temperature synthesis of silver–gold alloy nanoparticles. Nanoscale Advances 2023, 5 (5), 1450-1464 (Project A01, B04, C01, C04).
  • T. Schikarski, H. Trzenschiok, M. Avila and W. Peukert, Impact of solvent properties on the precipitation of active pharmaceutical ingredients. Powder Technology 2023, 415, 118032 (Project A01).
  • T. Schikarski, M. Avila, H. Trzenschiok, A. Güldenpfennig and W. Peukert, Quantitative modeling of precipitation processes. Chemical Engineering Journal 2022, 444, 136195 (Project A01).
  • P. Cardenas Lopez, M. J. Uttinger, N. E. Traoré, H. A. Khan, D. Drobek, B. Apeleo Zubiri, E. Spiecker, L. Pflug, W. Peukert and J. Walter, Multidimensional characterization of noble metal alloy nanoparticles by multiwavelength analytical ultracentrifugation. Nanoscale 2022, 14 (35), 12928-12939 (Project A01, C01, C04, D03).
  • M. Distaso, V. Lautenbach, M. J. Uttinger, J. Walter, C. Lübbert, T. Thajudeen and W. Peukert, A widely applicable method to stabilize nanoparticles comprising oxygen-rich functional groups. Powder Technology 2022, 117633 (Project A01, C04).
  • T. Schikarski, M. Avila and W. Peukert, En route towards a comprehensive dimensionless representation of precipitation processes. Chemical Engineering Journal 2022, 428, 131984 (Project A01).
  • J. Dienstbier, K.-M. Aigner, J. Rolfes, W. Peukert, D. Segets, L. Pflug and F. Liers, Robust optimization in nanoparticle technology: A proof of principle by quantum dot growth in a residence time reactor. Computers & Chemical Engineering 2022, 157, 107618 (Project A01, A02, D03, D06).
  • L. Pflug, T. Schikarski, A. Keimer, W. Peukert and M. Stingl, eMoM: Exact method of moments—Nucleation and size dependent growth of nanoparticles. Computers & Chemical Engineering 2020, 136, 106775 (Project A01, D03).

Principal investigator:

Prof. Dr.-Ing. Doris Segets
Particle Science and Technology, University of Duisburg-Essen (external link)

Researchers:

Zhuang Wang (M.Sc.)

Project summary:

The objective is the development of a continuous process for the preparation of hierarchically organised indium phosphide core, zinc sulphide shell (InP/ZnS) supraparticles. These will combine the advantage of tailored absorption and emission properties with secondary particle sizes > 100 nm. While the former will be achieved via colour mixing of red, green and blue (r/g/b) primary particles, the latter will be realised by the combination of highly reproducible experiments with numerical parameter identification and rigorous mathematical optimization. This will allow the design of optimum processes under uncertain conditions for their production at technical scale.

Publications:

  • Z. Wang, K. D. Wegner, L. M. S. Stiegler, X. Zhou, A. Rezvani, A. S. Odungat, B. Apeleo Zubiri, M. Wu, E. Spiecker, J. Walter, U. Resch-Genger and D. Segets, Optimizing the Shelling Process of InP/ZnS Quantum Dots Using a Single-Source Shell Precursor: Implications for Lighting and Display Applications. ACS Applied Nano Materials 2024, 7 (20), 24262-24273 (Project A02, C04, C05).
  • A. Rezvani, Y. Li, S. Neumann, O. Anwar, D. Rafaja, S. Reichenberger and D. Segets, Stability of binary colloidal mixtures of Au noble metal and ZnS semiconductor nanoparticles. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2024, 682, 132832 (Project A02).
  • A. M. Salaheldin and D. Segets, Controlled mixing during colloidal quantum dot synthesis: A proxy-concept based on equivalent parameters. Chemical Engineering Journal 2023, 475, 145393 (Project A02).
  • Z. Wang, N. E. Traoré, T. Schikarski, L. Stiegler, D. Drobek, B. A. Zubiri, E. Spiecker, J. Walter, W. Peukert, L. Pflug and D. Segets, Population balance modeling of InP formation in an automated synthesis platform. Chemical Engineering Science 2023, 281, 119062 (Project A01, A02, C01, C04, D03).
  • Z. Wang and D. Segets, Aminophosphine-based continuous liquid-phase synthesis of InP and InP/ZnS quantum dots in a customized tubular flow reactor. Reaction Chemistry & Engineering 2023, 8 (2), 316-322 (Project A02).
  • J. Dienstbier, K.-M. Aigner, J. Rolfes, W. Peukert, D. Segets, L. Pflug and F. Liers, Robust optimization in nanoparticle technology: A proof of principle by quantum dot growth in a residence time reactor. Computers & Chemical Engineering 2022, 157, 107618 (Project A01, A02, D03, D06).
  • S. Süβ, K. Bartsch, C. Wasmus, C. Damm, D. Segets and W. Peukert, Chromatographic property classification of narrowly distributed ZnS quantum dots. Nanoscale 2020, 12 (22), 12114-12125 (Project A02, B04).
  • M. Spinola, A. Keimer, D. Segets, G. Leugering and L. Pflug, Model-Based Optimization of Ripening Processes with Feedback Modules. Chemical Engineering & Technology 2020, 43 (5), 896-903 (Project A02, D03).
  • C. Giraudet, M. S. G. Knoll, Y. Galvan, S. Süß, D. Segets, N. Vogel, M. H. Rausch and A. P. Fröba, Diffusion of Gold Nanoparticles in Inverse Opals Probed by Heterodyne Dynamic Light Scattering. Transport in Porous Media 2020, 131 (2), 723-737 (Project A02, B01, C03).

Principal investigator:

Prof. Robin Klupp Taylor (MEng, DPhil (Oxon))
Nanostructured Particles Research Group (external link)

Researchers:

Andreas Völkl (M.Sc.), Julia Seifert (M. Sc.)

Project summary:

The objective is the deposition of plasmonic patches made of noble metal on dielectric particles. To determine which process parameters lead to a certain degree of coverage and shape of patches, we will perform inline measurements of the kinetics of the redox reactions, the patch nucleation and patch growth during continuous flow synthesis. Thus, we will establish a model for patch formation. Process parameters which lead to excellent optical properties will be identified and the corresponding particles synthesised on the order of few grams and evaluated as pigments. In addition, we will functionalise tailored metal patches on nanoscale core particles in order to endow these with ability to perform anisotropic interactions.

Publications:

  • A. Anspach, F. Bider, A. R. Völkl, R. N. Klupp Taylor and A. R. Boccaccini, Incorporating silica nanoparticles with silver patches into alginate-based bioinks for 3D bioprinting. MRS Communications 2024,  DOI: 10.1557/s43579-024-00668-8 (Project A03).
  • J. S. Seifert, N. Nees, H. Khan, N. E. Traoré, D. Drobek, W. Peukert, B. Apeleo Zubiri, E. Spiecker, M. Stingl, L. Pflug and R. N. Klupp Taylor, Continuous flow synthesis and simulation-supported investigation of tunable plasmonic gold patchy nanoparticles. Nanoscale 2024, 16 (41), 19284-19297 (Project A01, A03, C05, D03, D05).
  • A. Völkl, J. Toutouly, D. Drobek, B. Apeleo Zubiri, E. Spiecker, R. Klupp Taylor, Gram-Scale Continuous Flow Synthesis of Silver-on-Silica Patchy Nanoparticles with Widely Tunable Resonances for Plasmonics Applications. ACS Applied Nano Materials 2023, DOI: 10.1021/acsanm.3c00869 (Project A03).
  • T. Meincke and R. N. Klupp Taylor, Continuous flow synthesis of plasmonic gold patches and nearly-complete nanoshells on polystyrene core particles. Particuology 2023, 75, 137-150 (Project A03).
  • A. Völkl and R. N. Klupp Taylor, Investigation and mitigation of reagent ageing during the continuous flow synthesis of patchy particles. Chemical Engineering Research and Design 2022, 181, 133-143 (Project A03).
  • T. Meincke, J. Walter, L. Pflug, T. Thajudeen, A. Völkl, P. Cardenas Lopez, M. J. Uttinger, M. Stingl, S. Watanabe, W. Peukert and R. N. Klupp Taylor, Determination of the yield, mass and structure of silver patches on colloidal silica using multiwavelength analytical ultracentrifugation. Journal of Colloid and Interface Science 2022, 607, 698-710 (Project A03, C04, D05).

Principal investigator:

Prof. Dr. Martin Hartmann
Erlangen Catalysis Resource Centre (external link)
Prof. Dr. Karl Mandel
Department of Chemistry and Pharmacy (external link)

Researchers:

Madhura Joshi (M.Sc.), Dr.-Ing. Marcus Fischer

Project summary:

The objective is the synthesis of lanthanide-based porous metal organic framework (MOF) nanoparticles and their application in luminescence thermometry. We will gain understanding in the factors governing the synthesis of the porous Ln-MOF nanoparticles by in situ monitoring of their synthesis. The synthesis of this promising class of materials will be controlled with respect to nanoparticle size, morphology, surface stabilisation and luminescence properties. The latter will be achieved by co-doping of a second group 3 or lanthanide metal, by addition of guest species such as InP quantum dots or small gold clusters for application as ratiometric luminescence thermometers.

Publications:

  • A. Wolf, H. Zhou, P. Groppe, L. M. S. Stiegler, T. Kämäräinen, W. Peukert, J. Walter, S. Wintzheimer and K. Mandel, Nanoparticle Clustering in Supraparticles to Control Magnetic Long-Range Interactions. Particle & Particle Systems Characterization 2024, 2400180 (Project A04, C04).
  • L. Luthardt, T. Raczka, K. Hurle, S. Müssig and K. Mandel, Customizable induction heating profiles: from tailored colloidally stable nanoparticles towards multi-stage heatable supraparticles. Advanced Functional Materials 2024, 2412296 (Project A04).
  • D. Tocco, M. Joshi, R. Mastrangelo, E. Fratini, A. Salis and M. Hartmann, A green approach to encapsulate proteins and enzymes within crystalline lanthanide-based Tb and Gd MOFs. Dalton Transactions 2024, 53 (34), 14171-14181 (Project A04).
  • J. Reichstein, T. Raczka, C. Stauch, B. Schug, S. Müssig and K. Mandel, Multifunctional Polymer Composites for Automatable Induction Heating with Subsequent Temperature Verification. Advanced Engineering Materials 2024, 26 (20), 2400744 (Project A04).
  • P. Groppe, J. Reichstein, S. Carl, C. C. Collados, B.-J. Niebuur, K. Zhang, B. A. Zubiri, J. Libuda, T. Kraus, T. Retzer, M. Thommes, E. Spiecker, S. Wintzheimer and K. Mandel, Catalyst Supraparticles: Tuning the Structure of Spray-dried Pt/SiO2 Supraparticles via Salt-based Colloidal Manipulation to Control their Catalytic Performance. Small 2024, 2310813 (Project A04, C01, C02).
  • J. Reichstein, P. Groppe, N. Stockinger, C. Cuadrado Collados, M. Thommes, S. Wintzheimer and K. Mandel, Safety Through Visibility: Tracing Hydrogen in Colors with Highly Customizable and Flexibly Applicable Supraparticle Additives. Advanced Materials Technologies 2024, 2400441 (Project A04, C02).
  • H. Zhou, P. Groppe, T. Zimmermann, S. Wintzheimer and K. Mandel, Influence of cation concentration and valence on the structure and texture of spray-dried supraparticles from colloidal silica dispersions. Journal of Colloid and Interface Science 2024, 658, 199-208 (Project A04).
  • A. Wolf, A. Zink, L. M. S. Stiegler, R. Branscheid, B. Apeleo Zubiri, S. Müssig, W. Peukert, J. Walter, E. Spiecker and K. Mandel, Magnetic in situ determination of surface coordination motifs by utilizing the degree of particle agglomeration. Journal of Colloid and Interface Science 2023, 648, 633-643 (Project A04, C01, C04).
  • S. Wintzheimer, L. Luthardt, K. L. A. Cao, I. Imaz, D. Maspoch, T. Ogi, A. Bück, D. P. Debecker, M. Faustini and K. Mandel, Multifunctional, Hybrid Materials Design via Spray-Drying: Much more than Just Drying. Advanced Materials 2023, 2306648 (Project A04, B02).
  • A. Fujiwara, J. Wang, S. Hiraide, A. Götz, M. T. Miyahara, M. Hartmann, B. Apeleo Zubiri, E. Spiecker, N. Vogel and S. Watanabe, Fast Gas-Adsorption Kinetics in Supraparticle-Based MOF Packings with Hierarchical Porosity. Advanced Materials 2023, 2305980 (Project A04, B01, C01).
  • M. Ermer, R. Reber, H. Baser, M. Fischer, W. Schwieger and M. Hartmann, Perspective on the Use of Ultrasonic Monitoring for In Situ Diagnostics of Zeolite and MOF Crystallization. Crystal Growth & Design 2023, DOI: 10.1021/acs.cgd.3c00260 (Project A04).
  • A. G. F. Machoke, A. M. Arias, G. Baracchini, M. Rubin, H. Baser, T. Weissenberger, R. Dittmeyer, A. Weber, M. Hartmann and W. Schwieger, MFI Type Zeolite Aggregates with Nanosized Particles via a Combination of Spray Drying and Steam-Assisted Crystallization (SAC) Techniques. Catalysts 2023, 13 (3), 536 (Project A04).
  • S. Wenderoth, G. Bleyer, J. Endres, J. Prieschl, N. Vogel, S. Wintzheimer and K. Mandel, Spray-Dried Photonic Balls with a Disordered/Ordered Hybrid Structure for Shear-Stress Indication. Small 2022, 18 (48), 2203068 (Project A04, A05, B01).
  • H. Zhou, R. Pujales-Paradela, P. Groppe, S. Wintzheimer and K. Mandel, Tuning the Morphology of Spray-Dried Supraparticles: Effects of Building Block Size and Concentration. Particle & Particle Systems Characterization 2022, 2200127 (Project A04).
  • S. Glante, D. Wisser, M. Hartmann, M. Joos, R. E. Dinnebier and S. Bette, Lattice Modification and Morphological Control of Halide-Substituted yqt-Type Zeolitic Imidazolate Frameworks Zn3mim5X, with X = F, Br, Cl, or OH. Crystal Growth & Design 2022, 22 (6), 3795-3807 (Project A04).
  • M. Hartmann and Y. S. Avadhut, Solid State Magnetic Resonance Spectroscopy of Metal Oxide Nanoparticles. In Metal Oxide Nanoparticles, 2021; pp 513-555, (Project A04, C02).
  • O. Diwald and M. Hartmann, Adsorption and Chemical Reactivity. In Metal Oxide Nanoparticles, 2021; pp 593-636, (Project A04, C02).

Principal investigator:

Prof. Dr. rer. nat. Nicolas Vogel
Self-Assembled Materials Research Group (external link)

Researchers:

Bleyer, Gudrun

Project summary:

The objective is the fabrication of structural colour pigments with optimal colouration. We will use a bottom-up strategy to assemble colloidal particles into defined thin films and supraparticles. We will combine dielectric, absorbing and emitting particles synergistically and control their structure, number ratios and relative positions to produce optimized colouration in close collaboration with mathematical optimization and simulations on structure formation.

Publications:

  • G. Magnabosco, S. Barbosa, P. Andrade, M. Carneiro and N. Vogel, The “Recipe” for the Perfect Color. Front. Young Minds 2024, 12, 1432589 (Project A05).
  • P. M. Naveenkumar, L. J. Roemling, U. Sultan and N. Vogel, Fabrication of Spherical Colloidal Supraparticles via Membrane Emulsification. Langmuir 2024, 40 (42), 22245-22255 (Project A05, B01).
  • A. Abdeljaoued, B. L. Ruiz, Y.-E. Tecle, M. Langner, N. Bonakdar, G. Bleyer, P. Stenner and N. Vogel, Efficient removal of nanoplastics from industrial wastewater through synergetic electrophoretic deposition and particle-stabilized foam formation. Nat. Commun. 2024, 15 (1), 5437 (Project A05).
  • C. Bittner, G. Bleyer, N. Nees, M. Carneiro, L. Pflug, M. Stingl and N. Vogel, Optimizing Color Saturation in Colloidal Photonic Crystals by Control of Absorber Amount and Distribution. Advanced Materials Interfaces 2024, 2300986 (Project A05, D03, D05).
  • C. F. Mbah, J. Wang, S. Englisch, P. Bommineni, N. Roxana, Varela-Rosales, E. Spiecker, N. Vogel and M. Engel, Early-Stage Bifurcation of Crystallization in a Sphere. Nat. Commun. 2023, in press (Project A05, C01, D04).
  • E. S. A. Goerlitzer, M. Zapata-Herrera, E. Ponomareva, D. Feller, A. Garcia-Etxarri, M. Karg, J. Aizpurua and N. Vogel, Molecular-Induced Chirality Transfer to Plasmonic Lattice Modes. ACS Photonics 2023,  (Project A05).
  • L. J. Roemling, G. Bleyer, E. S. A. Goerlitzer, G. Onishchukov and N. Vogel, Quantitative Optical and Structural Comparison of 3D and (2+1)D Colloidal Photonic Crystals. Langmuir 2023, 39 (14), 5211-5221 (Project A05).
  • E. S. A. Goerlitzer, M. Zhan, S. Choi and N. Vogel, How Colloidal Lithography Limits the Optical Quality of Plasmonic Nanohole Arrays. Langmuir 2023, 39 (14), 5222-5229 (Project A05).
  • M. Schöttle, T. Lauster, L. J. Roemling, N. Vogel and M. Retsch, A Continuous Gradient Colloidal Glass. Advanced Materials 2022, 2208745 (Project A05).
  • S. Wenderoth, G. Bleyer, J. Endres, J. Prieschl, N. Vogel, S. Wintzheimer and K. Mandel, Spray-Dried Photonic Balls with a Disordered/Ordered Hybrid Structure for Shear-Stress Indication. Small 18 (48), 2203068 (Project A04, A05).
  • M. Rey, J. Walter, J. Harrer, C. M. Perez, S. Chiera, S. Nair, M. Ickler, A. Fuchs, M. Michaud, M. J. Uttinger, A. B. Schofield, J. H. J. Thijssen, M. Distaso, W. Peukert and N. Vogel, Versatile strategy for homogeneous drying patterns of dispersed particles. Nature Communications 2022, 13 (1), 2840 (Project A05, C04).
  • J. Wang, Y. Liu, G. Bleyer, E. S. A. Goerlitzer, S. Englisch, T. Przybilla, C. F. Mbah, M. Engel, E. Spiecker, I. Imaz, D. Maspoch and N. Vogel, Coloration in Supraparticles Assembled from Polyhedral Metal-Organic Framework Particles. Angewandte Chemie International Edition 2022, 61 (16), e202117455 (Project A05, C01, D04).
  • M. J. Uttinger, D. Jung, N. Dao, H. Canziani, C. Lübbert, N. Vogel, W. Peukert, J. Harting and J. Walter, Probing sedimentation non-ideality of particulate systems using analytical centrifugation. Soft Matter 2021, 17 (10), 2803-2814 (Project A05, C04, D02).
  • F. J. Wendisch, M. Rey, N. Vogel and G. R. Bourret, Large-Scale Synthesis of Highly Uniform Silicon Nanowire Arrays Using Metal-Assisted Chemical Etching. Chemistry of Materials 2020, 32 (21), 9425-9434 (Project A05).
  • M. Rey, M. J. Uttinger, W. Peukert, J. Walter and N. Vogel, Probing particle heteroaggregation using analytical centrifugation. Soft Matter 2020, 16 (14), 3407-3415 (Project A05, C04).

Research Area B: Particle Chromatography

Principal investigators:

Prof. Dr. rer. nat. Nicolas Vogel
Self-Assembled Materials Research Group (external link)
Prof. Dr. Martin Hartmann
Erlangen Catalysis Resource Centre (external link)

Researchers:

Sultan, Umair

Project summary:

The objective is the development of preparative methods for hierarchical porous materials with controlled pore and surface characteristics, which will be tailored and optimized for application as novel stationary phase materials for the chromatographic separation of nanoparticles. Our preparative approach relies on the synthesis of mesoporous primary particles with defined particle shape and pore size, their controlled assembly into supraparticles with pore size-specific surface properties, and the subsequent conversion of these supraparticles into macroporous zeolite particles with targeted pore diameter, shape and length.

Publications:

  • N. Madubuko, U. Sultan, S. Carl, D. Lehmann, X. Zhou, A. Soegaard, N. Taccardi, B. Apeleo Zubiri, S. Wintzheimer, E. Spiecker, M. Haumann, N. Vogel and P. Wasserscheid, Controlled Nanopore Sizes in Supraparticle Supports for Enhanced Propane Dehydrogenation with GaPt SCALMS Catalysts. ACS Applied Nano Materials 2024, 7 (21), 24356-24367 (Project B01, C01).
  • P. M. Naveenkumar, L. J. Roemling, U. Sultan and N. Vogel, Fabrication of Spherical Colloidal Supraparticles via Membrane Emulsification. Langmuir 2024, 40 (42), 22245-22255 (Project A05, B01).
  • A. Fujiwara, J. Wang, S. Hiraide, A. Götz, M. T. Miyahara, M. Hartmann, B. Apeleo Zubiri, E. Spiecker, N. Vogel and S. Watanabe, Fast Gas-Adsorption Kinetics in Supraparticle-Based MOF Packings with Hierarchical Porosity. Advanced Materials 2023, 2305980 (Project A04, B01, C01).
  • U. Sultan, A. Götz, C. Schlumberger, D. Drobek, G. Bleyer, T. Walter, E. Löwer, U. A. Peuker, M. Thommes, E. Spiecker, B. Apeleo Zubiri, A. Inayat and N. Vogel, From Meso to Macro: Controlling Hierarchical Porosity in Supraparticle Powders. Small 2023, 2300241 (Project B01, B03, C01).
  • W. Wu, J. Cui, U. Sultan, L. Gromotka, P. Malgaretti, C. Damm, J. Harting, N. Vogel, W. Peukert, A. Inayat and A. P. Fröba, Diffusion of gold nanoparticles in porous silica monoliths determined by dynamic light scattering. Journal of Colloid and Interface Science 2023, 641, 251-264 (Project B01, B04, C03, D02).
  • S. Wenderoth, G. Bleyer, J. Endres, J. Prieschl, N. Vogel, S. Wintzheimer and K. Mandel, Spray-Dried Photonic Balls with a Disordered/Ordered Hybrid Structure for Shear-Stress Indication. Small 2022, 18 (48), 2203068 (Project A04, A05, B01).
  • J. Wang, S. Hahn, E. Amstad and N. Vogel, Tailored Double Emulsions Made Simple. Advanced Materials 2022, 34 (5), 2107338 (Project A05).
  • J. Wang, E. Kang, U. Sultan, B. Merle, A. Inayat, B. Graczykowski, G. Fytas and N. Vogel, Influence of Surfactant-Mediated Interparticle Contacts on the Mechanical Stability of Supraparticles. The Journal of Physical Chemistry C 2021, 125 (42), 23445-23456 (Project B01).
  • J. Wang, J. Schwenger, A. Ströbel, P. Feldner, P. Herre, S. Romeis, W. Peukert, B. Merle and N. Vogel, Mechanics of colloidal supraparticles under compression. Science Advances 2021, 7 (42), eabj0954 (Project B01, B04).
  • H. Canziani, F. Bever, A. Sommereyns, M. Schmidt and N. Vogel, Roughly Spherical: Tailored PMMA–SiO2 Composite Supraparticles with Optimized Powder Flowability for Additive Manufacturing. ACS Applied Materials & Interfaces 2021, 13 (21), 25334-25345 (Project B01).
  • J.-P. Grass, K. Klühspies, B. Reiprich, W. Schwieger and A. Inayat, Layer-Like Zeolite X as Catalyst in a Knoevenagel Condensation: The Effect of Different Preparation Pathways and Cation Exchange. Catalysts2021, 11 (4), 474 (Project B01).
  • H. Canziani, S. Chiera, T. Schuffenhauer, S.-P. Kopp, F. Metzger, A. Bück, M. Schmidt and N. Vogel, Bottom-Up Design of Composite Supraparticles for Powder-Based Additive Manufacturing. Small 2020, 16 (30), 2002076 (Project B01, B02).
  • C. Giraudet, M. S. G. Knoll, Y. Galvan, S. Süß, D. Segets, N. Vogel, M. H. Rausch and A. P. Fröba, Diffusion of Gold Nanoparticles in Inverse Opals Probed by Heterodyne Dynamic Light Scattering. Transport in Porous Media 2020, 131 (2), 723-737 (Project A02, B01, C03).

Principal investigator:

Prof. Dr.-Ing. Andreas Bück
Solids Processing Group (external link)

Researchers:

David Herbert Panduro Vela (M. Sc.)

Project summary:

The objective is the development of a new scalable technology for continuous production of stationary phase materials for use in particle chromatography from suspensions by “spray printing”, i.e. layer-by-layer build-up of functional, porous substrates by individual droplet placement and drying. We will design and implement a new device for layer-by-layer build up. We will perform experiments on solids formation from drying free and sessile droplets and derive dynamic models that will allow describing predictively layer morphology and spatial heterogeneity of the porous substrates.

Publications:

  • W. Peukert and A. Bück, “Green” particle technology: Its history, successes, and open issues. Powder Technology 2024, 448, 120255 (Project B02, C04).
  • A. Bück, Model for structure formation in nanosuspension droplet superheated steam drying. Drying Technology 2024, 42 (14), 2070-2079 (Project B02).
  • S. Wintzheimer, L. Luthardt, K. L. A. Cao, I. Imaz, D. Maspoch, T. Ogi, A. Bück, D. P. Debecker, M. Faustini and K. Mandel, Multifunctional, Hybrid Materials Design via Spray-Drying: Much more than Just Drying. Advanced Materials 2023, 2306648 (Project A04, B02).
  • W. Wu, D. H. Panduro Vela, A. Bück and A. P. Fröba, Characterization of nanofluids in evaporating droplets by dynamic light scattering. Measurement 2023, 220, 113321 (Project B02, C03).
  • D. H. Panduro Vela, C. Schlumberger, M. Thommes and A. Bück, Spray Printing of Porous Substrates from Nanosuspensions. Processes 2023, 11 (4), 1143 (Project B02, B03).
  • N. Roy, R. Dürr, A. Bück, J. Kumar and S. Sundar, Numerical methods for particle agglomeration and breakage in lid-driven cavity flows at low Reynolds numbers. Mathematics and Computers in Simulation 2022, 192, 33-49 (Project B02).
  • J. Saha and A. Bück, Conservative Finite Volume Schemes for Multidimensional Fragmentation Problems. Mathematics 2021, 9 (6), 635 (Project B02).
  • H. Canziani, S. Chiera, T. Schuffenhauer, S.-P. Kopp, F. Metzger, A. Bück, M. Schmidt and N. Vogel, Bottom-Up Design of Composite Supraparticles for Powder-Based Additive Manufacturing. Small 2020, 16 (30), 2002076 (Project B01, B02).
  • F. E. Berger Bioucas, M. H. Rausch, J. Schmidt, A. Bück, T. M. Koller and A. P. Fröba, Effective Thermal Conductivity of Nanofluids: Measurement and Prediction. International Journal of Thermophysics 2020, 41 (5), 55 (Project B02, C03).

Principal investigator:

Prof. Dr. Matthias Thommes
Institute of Separation Science and Technology (external link)

Researchers:

Dr.-Ing. Carola Vorndran

Project summary:

The objective is to develop a reliable methodology for the determination of textural properties (e.g. accessible surface area and porosity, pore size distribution, pore network characteristics) of stationary phase materials immersed in a liquid phase. We will utilise various experimental techniques, including the development of novel methodologies based on NMR relaxation measurements and inverse size exclusion chromatography, coupled with advanced gas adsorption and liquid intrusion methods. This combination of techniques in the liquid and in the gas phase will allow the derivation of a consistent, unified framework for the textural characterisation of hierarchically structured stationary phase materials.

Publications:

  • D. H. Panduro Vela, C. Schlumberger, M. Thommes and A. Bück, Spray Printing of Porous Substrates from Nanosuspensions. Processes 2023, 11 (4), 1143 (Project B02, B03).
  • C. Schlumberger, L. Sandner, A. Michalowski and M. Thommes, Reliable Surface Area Assessment of Wet and Dry Nonporous and Nanoporous Particles: Nuclear Magnetic Resonance Relaxometry and Gas Physisorption. Langmuir 2023, 39 (13), 4611-4621 (Project B03).
  • U. Sultan, A. Götz, C. Schlumberger, D. Drobek, G. Bleyer, T. Walter, E. Löwer, U. A. Peuker, M. Thommes, E. Spiecker, B. Apeleo Zubiri, A. Inayat and N. Vogel, From Meso to Macro: Controlling Hierarchical Porosity in Supraparticle Powders. Small 2023, 2300241 (Project B01, B03, C01).
  • L. Gromotka, M. J. Uttinger, C. Schlumberger, M. Thommes and W. Peukert, Classification and characterization of multimodal nanoparticle size distributions by size-exclusion chromatography. Nanoscale 2022, 14 (46), 17354-17364 (Project B03, B04, C04).
  • C. Schlumberger, C. Scherdel, M. Kriesten, P. Leicht, A. Keilbach, H. Ehmann, P. Kotnik, G. Reichenauer and M. Thommes, Reliable surface area determination of powders and meso/macroporous materials: Small-angle X-ray scattering and gas physisorption. Microporous and Mesoporous Materials 2022, 329, 111554 (Project B03).
  • M. Thommes and C. Schlumberger, Characterization of Nanoporous Materials. Annual Review of Chemical and Biomolecular Engineering 2021, 12 (1), 137-162 (Project B03, C02).
  • C. Schlumberger and M. Thommes, Characterization of Hierarchically Ordered Porous Materials by Physisorption and Mercury Porosimetry—A Tutorial Review. Advanced Materials Interfaces 2021, 8 (4), 2002181 (Project B03, C02).

Principal investigator:

Prof. Dr.-Ing. Wolfgang Peukert
Institute of Particle Technology (external link)

Researchers:

Hartmann, Lukas, Dr. rer. nat. Cornelia Damm

Project summary:

The objective is the chromatographic classification of nanoparticles regarding size, shape and surface functionality based on an in-depth understanding of the nanoparticle-stationary phase interactions and of the transport processes of nanoparticles in the column and the stationary phase. The interactions will be tailored by index matching and by porosity, size, charge and surface properties of the nanoparticles and the stationary phase material. The retention behaviour of the nanoparticles will be studied and two-dimensional grade efficiencies will be evaluated. Based on novel process concepts, preparative nanoparticle chromatography will be coupled with continuous nanoparticles synthesis.

Publications:

  • C. C. Collados, C. Huber, J. Söllner, J.-P. Grass, A. Inayat, R. Durdyyev, A.-S. Smith, D. Wisser, M. Hartmann and M. Thommes, Assessment of Hydrophilicity/Hydrophobicity in Mesoporous Silica by Combining Adsorption, Liquid Intrusion, and Solid-State NMR Spectroscopy. Langmuir 2024, 40 (25), 12853-12867 (Project C02, B04, D01).
  • C. Damm, D. Long, J. Walter and W. Peukert, Size and Shape Selective Classification of Nanoparticles. Powders 2024, 3 (2), 255-279 (Project B04, C04).
  • C. Lübbert and W. Peukert, Characterization of complex particle properties by mobility-classified mass spectrometry – A case study for glutathione capped gold nanoclusters. Journal of Aerosol Science 2024, 106345 (Project C04, B04).
  • C. Schlumberger, C. C. Collados, J. Söllner, C. Huber, D. Wisser, H.-F. Liu, C.-K. Chang, S. A. Schuster, M. R. Schure, M. Hartmann, J. I. Siepmann and M. Thommes, Characterization of Functionalized Chromatographic Nanoporous Silica Materials by Coupling Water Adsorption and Intrusion with Nuclear Magnetic Resonance Relaxometry. ACS Applied Nano Materials 2024, 7 (2), 1572-1585 (Project C02, B04).
  • L. Gromotka, M. Biegel, C. Damm, N. Traoré, D. Drobek, E. Spiecker and W. Peukert, Combined continuous nanoparticle synthesis with chromatographic size classification. Advanced Powder Technology 2024, 35 (1), 104294 (Project A01, B04, C05).
  • M. Biegel, T. Schikarski, P. Cardenas Lopez, L. Gromotka, C. Lübbert, A. Völkl, C. Damm, J. Walter and W. Peukert, Efficient quenching sheds light on early stages of gold nanoparticle formation. RSC Advances 2023, 13 (26), 18001-18013 (Project A01, B04, C04).
  • L. Gromotka, C. Lübbert, N. Traoré and W. Peukert, Green and Scalable Fractionation of Gold Nanoclusters by Anion Exchange Chromatography: Proof of Principle and Scale-Up. ACS Applied Nano Materials 2023, 6 (8), 6953–6962 (Project A01, B04, C04).
  • U. Frank, J. Dienstbier, F. Tischer, S. E. Wawra, L. Gromotka, J. Walter, F. Liers and W. Peukert, Multidimensional Fractionation of Particles. Separations 2023, 10 (4), 252 (Project B04, C04, D06).
  • M. Supper, V. Birner, L. Gromotka, W. Peukert and M. Kaspereit, Isolation and Purification of Single Gold Nanoclusters by Alternate Pumping Chromatography. Separations 2023, 10 (3), 214 (Project B04, B05).
  • W. Wu, J. Cui, U. Sultan, L. Gromotka, P. Malgaretti, C. Damm, J. Harting, N. Vogel, W. Peukert, A. Inayat and A. P. Fröba, Diffusion of gold nanoparticles in porous silica monoliths determined by dynamic light scattering. Journal of Colloid and Interface Science 2023, 641, 251-264 (Project B01, B04, C03, D02).
  • N. E. Traoré, M. J. Uttinger, P. Cardenas Lopez, D. Drobek, L. Gromotka, J. Schmidt, J. Walter, B. Apeleo Zubiri, E. Spiecker and W. Peukert, Green room temperature synthesis of silver–gold alloy nanoparticles. Nanoscale Advances 2023, 5 (5), 1450-1464 (Project A01, B04, C01, C04).
  • W. Peukert, M. Kaspereit, T. Hofe and L. Gromotka, Size Exclusion Chromatography (SEC). In Particle Separation Techniques: Fundamentals, Instrumentation, and Selected Applications, Contado, C., Ed. Elsevier: 2022, (Project B04, B05).
  • L. Gromotka, M. J. Uttinger, C. Schlumberger, M. Thommes and W. Peukert, Classification and characterization of multimodal nanoparticle size distributions by size-exclusion chromatography. Nanoscale 2022, 14 (46), 17354-17364 (Project B03, B04).
  • C. Damm and W. Peukert, Chapter 3 – Particle dispersions in liquid media. In Particle Separation Techniques, Contado, C., Ed. Elsevier: 2022; pp 27-62, (Project B04).
  • J. Wang, J. Schwenger, A. Ströbel, P. Feldner, P. Herre, S. Romeis, W. Peukert, B. Merle and N. Vogel, Mechanics of colloidal supraparticles under compression. Science Advances 2021, 7 (42), eabj0954 (Project B01, B04).
  • S. Süβ, K. Bartsch, C. Wasmus, C. Damm, D. Segets and W. Peukert, Chromatographic property classification of narrowly distributed ZnS quantum dots. Nanoscale 2020, 12 (22), 12114-12125 (Project A02, B04).

Principal investigator:

Prof. Dr.-Ing. Malte Kaspereit
Institute of Separation Science and Technology (external link)

Researchers:

Dr.-Ing. Malvina Supper

Project summary:

The objective is to develop efficient chromatographic process concepts for the size-selective classification of nanoparticles. Since this represents a very challenging separation problem, the exploitable retention mechanisms – size exclusion and reversible interactions – will be analysed experimentally. By means of mathematical optimization of corresponding models, not only single-column processes are developed that combine these mechanisms in an optimal manner, but moreover, new and more powerful processes are devised based on clever recycling strategies and multi column arrangements.

Publications:

  • P. K. Chittem, M. Supper, M. Kaspereit, W. Wu and A. P. Fröba, Diffusivities in Binary and Ternary Mixtures Containing Poly(ethylene) Glycol, Acetonitrile, and Water by Dynamic Light Scattering. Industrial & Engineering Chemistry Research 2024, 63 (33), 14897-14908 (Project B05, C03).
  • C. Lübbert, M. Supper, M. Kaspereit, J. Walter and W. Peukert, Single molecule pycnometry and shape analysis of ions in the gas phase. Anal. Chem. 2023, 95 (35), 13010–13017 (Project B05, C04).
  • M. Supper, R. Jost, B. Bornschein and M. Kaspereit, Separation of Molar Weight-Distributed Polyethylene Glycols by Reversed-Phase Chromatography—II. Preparative Isolation of Pure Single Homologs. Processes 2023, 11 (3), 946 (Project B05).
  • M. Supper, V. Birner, L. Gromotka, W. Peukert and M. Kaspereit, Isolation and Purification of Single Gold Nanoclusters by Alternate Pumping Chromatography. Separations 2023, 10 (3), 214 (Project B05).
  • A. Baer, P. Malgaretti, M. Kaspereit, J. Harting and A.-S. Smith, Modelling diffusive transport of particles interacting with slit nanopore walls: The case of fullerenes in toluene filled alumina pores. Journal of Molecular Liquids 2022, 368, 120636 (Project B05, D01, D02).
  • M. Supper, K. Heller, J. Söllner, T. Sainio and M. Kaspereit, Separation of Molar Weight-Distributed Polyethylene Glycols by Reversed-Phase Chromatography—Analysis and Modeling Based on Isocratic Analytical-Scale Investigations. Processes 2022, 10 (11), 2160 (Project B05).
  • W. Wu, M. Supper, M. H. Rausch, M. Kaspereit and A. P. Fröba, Mutual Diffusivities of Binary Mixtures of Water and Poly(ethylene) Glycol from Heterodyne Dynamic Light Scattering. International Journal of Thermophysics 2022, 43 (12), 177 (Project B05, C03).
  • W. Peukert, M. Kaspereit, T. Hofe and L. Gromotka, Size Exclusion Chromatography (SEC). In Particle Separation Techniques: Fundamentals, Instrumentation, and Selected Applications, Contado, C., Ed. Elsevier: 2022, (Project B04, B05).
  • H. S. H. Nguyen, M. Kaspereit and T. Sainio, Intermittent recycle-integrated reactor-separator for production of well-defined non-digestible oligosaccharides from oat β-glucan. Chemical Engineering Journal 2021, 410, 128352 (Project B05).
  • T. Sainio and M. Kaspereit, Analysis of reactor–separator processes for polymeric and oligomeric degradation products with controlled molar mass distributions. Chemical Engineering Science 2021, 229, 116154 (Project B05).
  • J. Dienstbier, J. Schmölder, R. Burlacu, F. Liers and M. Kaspereit, Global optimization of batch and steady-state recycling chromatography based on the equilibrium model. Computers & Chemical Engineering 2020, 135, 106687 (Project B05, D06).
  • J. Schmölder and M. Kaspereit, A Modular Framework for the Modelling and Optimization of Advanced Chromatographic Processes. Processes 2020, 8 (1), 65 (Project B05).

Research Area C: Comprehensive Characterisation

Principal investigator:

Dr. Benjamin Apeleo-Zubiri (Akad. Rat)
Institute of Micro- and Nanostructure Research (external link)
Prof. Dr. rer. nat. habil. Erdmann Spiecker
Institute of Micro- and Nanostructure Research (external link)

Researchers:

Alexander Götz (M. Sc.)

Project summary:

The objective is the quantitative 3D analysis of particle systems and porous structures synthesised and used in the CRC by advanced electron tomography and X-ray nanotomography techniques. The 3D data will be shared within the CRC for modelling and optimization of functional particles and separation processes. A workflow for quantitative 3D characterisation will be established for particular particle systems. This will then be extended to correlative and scale-bridging tomography of particle ensembles and stationary phase materials to gain statistically relevant information. Furthermore, a workflow to derive quantitative structure-property-relationships on the single particle level will be developed.

Publications:

  • N. Madubuko, U. Sultan, S. Carl, D. Lehmann, X. Zhou, A. Soegaard, N. Taccardi, B. Apeleo Zubiri, S. Wintzheimer, E. Spiecker, M. Haumann, N. Vogel and P. Wasserscheid, Controlled Nanopore Sizes in Supraparticle Supports for Enhanced Propane Dehydrogenation with GaPt SCALMS Catalysts. ACS Applied Nano Materials 2024, 7 (21), 24356-24367 (Project B01, C01).
  • D. Hoffmeister, S. Finger, L. Fiedler, T.-C. Ma, A. Körner, M. Zlatar, B. Fritsch, K. W. Bodnar, S. Carl, A. Götz, B. A. Zubiri, J. Will, E. Spiecker, S. Cherevko, A. T. S. Freiberg, K. J. J. Mayrhofer, S. Thiele, A. Hutzler and C. van Pham, Photodeposition-Based Synthesis of TiO2@IrOx Core–Shell Catalyst for Proton Exchange Membrane Water Electrolysis with Low Iridium Loading. Advanced Science 2024, 11 (30), 2402991 (Project C01, C05).
  • S. Kreuz, B. Apeleo Zubiri, S. Englisch, M. Buwen, S.-G. Kang, R. Ramachandramoorthy, E. Spiecker, F. Liers and J. Rolfes, Improving reconstructions in nanotomography for homogeneous materials via mathematical optimization. Nanoscale Advances 2024, 6 (15), 3934-3947 (Project C01, C05, D06).
  • P. Groppe, J. Reichstein, S. Carl, C. C. Collados, B.-J. Niebuur, K. Zhang, B. A. Zubiri, J. Libuda, T. Kraus, T. Retzer, M. Thommes, E. Spiecker, S. Wintzheimer and K. Mandel, Catalyst Supraparticles: Tuning the Structure of Spray-dried Pt/SiO2 Supraparticles via Salt-based Colloidal Manipulation to Control their Catalytic Performance. Small 2024, 2310813 (Project A04, C01, C02).
  • S. Carl, J. Will, N. Madubuko, A. Götz, T. Przybilla, M. Wu, N. Raman, J. Wirth, N. Taccardi, B. A. Zubiri, M. Haumann, P. Wasserscheid and E. Spiecker, Structural Evolution of GaOx-Shell and Intermetallic Phases in Ga–Pt Supported Catalytically Active Liquid Metal Solutions. The Journal of Physical Chemistry Letters 2024, 15 (17), 4711-4720 (Project C01, C05).
  • A. Wolf, A. Zink, L. M. S. Stiegler, R. Branscheid, B. Apeleo Zubiri, S. Müssig, W. Peukert, J. Walter, E. Spiecker and K. Mandel, Magnetic in situ determination of surface coordination motifs by utilizing the degree of particle agglomeration. Journal of Colloid and Interface Science 2023, 648, 633-643 (Project A04, C01, C04).
  • A. Fujiwara, J. Wang, S. Hiraide, A. Götz, M. T. Miyahara, M. Hartmann, B. Apeleo Zubiri, E. Spiecker, N. Vogel and S. Watanabe, Fast Gas-Adsorption Kinetics in Supraparticle-Based MOF Packings with Hierarchical Porosity. Advanced Materials 2023, 2305980 (Project A04, B01, C01).
  • Y. Wang, J. Chen, R. Li, A. Götz, D. Drobek, T. Przybilla, S. Hübner, P. Pelz, L. Yang, B. Apeleo Zubiri, E. Spiecker, M. Engel and X. Ye, Controlled Self-Assembly of Gold Nanotetrahedra into Quasicrystals and Complex Periodic Supracrystals. Journal of the American Chemical Society 2023, 145 (32), 17902-17911 (Project C01, D04).
  • Z. Wang, N. E. Traoré, T. Schikarski, L. Stiegler, D. Drobek, B. A. Zubiri, E. Spiecker, J. Walter, W. Peukert, L. Pflug and D. Segets, Population balance modeling of InP formation in an automated synthesis platform. Chemical Engineering Science 2023, 281, 119062 (Project A01, A02, C01, C04, D03).
  • C. F. Mbah, J. Wang, S. Englisch, P. Bommineni, N. Roxana, Varela-Rosales, E. Spiecker, N. Vogel and M. Engel, Early-Stage Bifurcation of Crystallization in a Sphere. Nat. Commun. 2023, 14 (1), 5299 (Project A05, C01, D04).
  • A. Völkl, J. Toutouly, D. Drobek, B. Apeleo Zubiri, E. Spiecker and R. N. Klupp Taylor, Gram-Scale Continuous Flow Synthesis of Silver-on-Silica Patchy Nanoparticles with Widely Tunable Resonances for Plasmonics Applications. ACS Applied Nano Materials 2023,  (Project A03, C01).
  • S. Englisch, R. Ditscherlein, T. Kirstein, L. Hansen, O. Furat, D. Drobek, T. Leißner, B. Apeleo Zubiri, A. P. Weber, V. Schmidt, U. A. Peuker and E. Spiecker, 3D analysis of equally X-ray attenuating mineralogical phases utilizing a correlative tomographic workflow across multiple length scales. Powder Technology 2023, 419, 118343 (Project C01).
  • U. Frank, D. Drobek, A. Sánchez-Iglesias, S. E. Wawra, N. Nees, J. Walter, L. Pflug, B. Apeleo Zubiri, E. Spiecker, L. M. Liz-Marzán and W. Peukert, Determination of 2D Particle Size Distributions in Plasmonic Nanoparticle Colloids via Analytical Ultracentrifugation: Application to Gold Bipyramids. ACS Nano 2023, 17 (6), 5785-5798 (Project C01, C04, D03, D05).
  • U. Sultan, A. Götz, C. Schlumberger, D. Drobek, G. Bleyer, T. Walter, E. Löwer, U. A. Peuker, M. Thommes, E. Spiecker, B. Apeleo Zubiri, A. Inayat and N. Vogel, From Meso to Macro: Controlling Hierarchical Porosity in Supraparticle Powders. Small 2023, 2300241 (Project B01, B03, C01).
  • S. Englisch, J. Wirth, D. Drobek, B. Apeleo Zubiri and E. Spiecker, Expanding accessible 3D sample size in lab-based X-ray nanotomography without compromising resolution. Precision Engineering 2023, 82, 169-183 (Project C01).
  • N. E. Traoré, M. J. Uttinger, P. Cardenas Lopez, D. Drobek, L. Gromotka, J. Schmidt, J. Walter, B. Apeleo Zubiri, E. Spiecker and W. Peukert, Green room temperature synthesis of silver–gold alloy nanoparticles. Nanoscale Advances 2023, 5 (5), 1450-1464 (Project A01, B04, C01, C04).
  • P. Cardenas Lopez, M. J. Uttinger, N. E. Traoré, H. A. Khan, D. Drobek, B. Apeleo Zubiri, E. Spiecker, L. Pflug, W. Peukert and J. Walter, Multidimensional characterization of noble metal alloy nanoparticles by multiwavelength analytical ultracentrifugation. Nanoscale 2022, 14 (35), 12928-12939 (Project A01, C01, C04, D03).
  • J. Wang, Y. Liu, G. Bleyer, E. S. A. Goerlitzer, S. Englisch, T. Przybilla, C. F. Mbah, M. Engel, E. Spiecker, I. Imaz, D. Maspoch and N. Vogel, Coloration in Supraparticles Assembled from Polyhedral Metal-Organic Framework Particles. Angewandte Chemie International Edition 2022, 61 (16), e202117455 (Project A05, C01, D04).
  • M. Sarcletti, H. Park, J. Wirth, S. Englisch, A. Eigen, D. Drobek, D. Vivod, B. Friedrich, R. Tietze, C. Alexiou, D. Zahn, B. Apeleo Zubiri, E. Spiecker and M. Halik, The remediation of nano-/microplastics from water. Materials Today 2021, 48, 38-46 (Project C01).
  • J. Wirth, S. Englisch, D. Drobek, B. Apeleo Zubiri, M. Wu, N. Taccardi, N. Raman, P. Wasserscheid and E. Spiecker, Unraveling Structural Details in Ga-Pd SCALMS Systems Using Correlative Nano-CT, 360° Electron Tomography and Analytical TEM. Catalysts 2021, 11 (7), 810 (Project C01).
  • B. Apeleo Zubiri, J. Wirth, D. Drobek, S. Englisch, T. Przybilla, T. Weissenberger, W. Schwieger and E. Spiecker, Correlative Laboratory Nano-CT and 360° Electron Tomography of Macropore Structures in Hierarchical Zeolites. Advanced Materials Interfaces 2021, 8 (4), 2001154 (Project C01).

Principal investigators:

Prof. Dr. Martin Hartmann
Erlangen Catalysis Resource Centre (external link)

Dr. Dorothea Wisser
Erlangen Catalysis Resource Centre (external link)

Researchers:

Cuadrado Collados, Carlos

Project summary:

The objective is to develop a comprehensive methodology for a reliable assessment of surface chemistry of both stationary phase materials and nanoparticle surfaces. Therefore, we will combine complimentary advanced adsorption (e.g. in situ adsorption calorimetry) and spectroscopic (e.g. solid-state NMR spectroscopy) techniques for the characterisation of the surface chemistry of porous materials and nanoparticles. This will allow us to determine the chemical nature, surface density and location of different functional groups of stationary phase material and nanoparticle surfaces immersed in a liquid phase, but also to investigate interactions between nanoparticles and stationary phase materials.

Publications:

  • C. C. Collados, C. Huber, J. Söllner, J.-P. Grass, A. Inayat, R. Durdyyev, A.-S. Smith, D. Wisser, M. Hartmann and M. Thommes, Assessment of Hydrophilicity/Hydrophobicity in Mesoporous Silica by Combining Adsorption, Liquid Intrusion, and Solid-State NMR Spectroscopy. Langmuir 2024, 40 (25), 12853-12867 (Project C02, B04, D01).
  • P. Groppe, J. Reichstein, S. Carl, C. C. Collados, B.-J. Niebuur, K. Zhang, B. A. Zubiri, J. Libuda, T. Kraus, T. Retzer, M. Thommes, E. Spiecker, S. Wintzheimer and K. Mandel, Catalyst Supraparticles: Tuning the Structure of Spray-dried Pt/SiO2 Supraparticles via Salt-based Colloidal Manipulation to Control their Catalytic Performance. Small 2024, 2310813 (Project A04, C01, C02).
  • J. Reichstein, P. Groppe, N. Stockinger, C. Cuadrado Collados, M. Thommes, S. Wintzheimer and K. Mandel, Safety Through Visibility: Tracing Hydrogen in Colors with Highly Customizable and Flexibly Applicable Supraparticle Additives. Advanced Materials Technologies 2024, 2400441 (Project A04, C02).
  • C. Schlumberger, C. C. Collados, J. Söllner, C. Huber, D. Wisser, H.-F. Liu, C.-K. Chang, S. A. Schuster, M. R. Schure, M. Hartmann, J. I. Siepmann and M. Thommes, Characterization of Functionalized Chromatographic Nanoporous Silica Materials by Coupling Water Adsorption and Intrusion with Nuclear Magnetic Resonance Relaxometry. ACS Applied Nano Materials 2024, 7 (2), 1572-1585 (Project C02, B04).
  • S. Glante, D. Wisser, M. Hartmann, M. Joos, R. E. Dinnebier and S. Bette, Lattice Modification and Morphological Control of Halide-Substituted yqt-Type Zeolitic Imidazolate Frameworks Zn3mim5X, with X = F, Br, Cl, or OH. Crystal Growth & Design 2022, 22 (6), 3795-3807 (Project A04, C02).
  • M. Hartmann and Y. S. Avadhut, Solid State Magnetic Resonance Spectroscopy of Metal Oxide Nanoparticles. In Metal Oxide Nanoparticles, 2021; pp 513-555, (Project A04, C02).
  • O. Diwald and M. Hartmann, Adsorption and Chemical Reactivity. In Metal Oxide Nanoparticles, 2021; pp 593-636, (Project A04, C02).
  • Y. Sun, R. F. DeJaco, Z. Li, D. Tang, S. Glante, D. S. Sholl, C. M. Colina, R. Q. Snurr, M. Thommes, M. Hartmann and J. I. Siepmann, Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning. Science Advances 2021, 7 (30), eabg3983 (Project C02).
  • M. Thommes and C. Schlumberger, Characterization of Nanoporous Materials. Annual Review of Chemical and Biomolecular Engineering 2021, 12 (1), 137-162 (Project B03, C02).
  • C. Schlumberger and M. Thommes, Characterization of Hierarchically Ordered Porous Materials by Physisorption and Mercury Porosimetry—A Tutorial Review. Advanced Materials Interfaces 2021, 8 (4), 2002181 (Project B03, C02).

Principal investigator:

Prof. Dr.-Ing. habil. Andreas Fröba
Institute of Advanced Optical Technologies – Thermophysical Properties (external link)

Researchers:

Knoll, Matthias, Dr.-Ing. Wenchang Wu, We could not find any entry with the given search term 2106.Dr.-Ing. Michael Rausch,

Project summary:

The objective is to gain a fundamental understanding of diffusion of nanoparticles in solvents and in porous materials. To assess accurate information on diffusion coefficients, light scattering- and fluorescence-based photon correlation spectroscopy techniques will be used and further developed. For different particulate systems, the diffusivities will be studied in free media first to understand the influence of particle size, shape, and interactions. Then, the diffusivity of dispersions of spherical particles will be investigated in porous materials as a function of the ratio of the pore diameter to the particle diameter as well as of pore size distribution, pore arrangement, and size of the pore opening.

Publications:

  • P. K. Chittem, M. Supper, M. Kaspereit, W. Wu and A. P. Fröba, Diffusivities in Binary and Ternary Mixtures Containing Poly(ethylene) Glycol, Acetonitrile, and Water by Dynamic Light Scattering. Industrial & Engineering Chemistry Research 2024, 63 (33), 14897-14908 (Project B05, C03).
  • W. Wu, P. K. Chittem, F. Meißner, C. Damm, W. Peukert and A. P. Fröba, Determination of Translational and Rotational Diffusivities of Anisotropic Nanoparticles by Heterodyne Polarized and Depolarized Dynamic Light Scattering. The Journal of Physical Chemistry C 2024, 128 (22), 9116-9129 (Project A01, C03).
  • W. Wu, M. S. G. Knoll, C. Giraudet, M. Heinrich Rausch and A. P. Fröba, Heterodyne dynamic light scattering for the characterization of particle dispersions. Appl. Opt. 2023, 62 (30), 8007-8017 (Project C03).
  • W. Wu, D. H. Panduro Vela, A. Bück and A. P. Fröba, Characterization of nanofluids in evaporating droplets by dynamic light scattering. Measurement 2023, 220, 113321 (Project B02, C03).
  • W. Wu, J. Cui, U. Sultan, L. Gromotka, P. Malgaretti, C. Damm, J. Harting, N. Vogel, W. Peukert, A. Inayat and A. P. Fröba, Diffusion of gold nanoparticles in porous silica monoliths determined by dynamic light scattering. Journal of Colloid and Interface Science 2023, 641, 251-264 (Project B01, B04, C03, D02).
  • W. Wu, M. Supper, M. H. Rausch, M. Kaspereit and A. P. Fröba, Mutual Diffusivities of Binary Mixtures of Water and Poly(ethylene) Glycol from Heterodyne Dynamic Light Scattering. International Journal of Thermophysics 2022, 43 (12), 177 (Project B05, C03).
  • F. E. Berger Bioucas, M. H. Rausch, J. Schmidt, A. Bück, T. M. Koller and A. P. Fröba, Effective Thermal Conductivity of Nanofluids: Measurement and Prediction. International Journal of Thermophysics 2020, 41 (5), 55 (Project B02, C03).
  • C. Giraudet, M. S. G. Knoll, Y. Galvan, S. Süß, D. Segets, N. Vogel, M. H. Rausch and A. P. Fröba, Diffusion of Gold Nanoparticles in Inverse Opals Probed by Heterodyne Dynamic Light Scattering. Transport in Porous Media 2020, 131 (2), 723-737 (Project A02, B01, C03).

Principal investigators:

Dr.-Ing. Johannes Walter
Interdisciplinary Centre for Functional Particle Systems (external link)

Researchers:

Paola Cardenas (M. Sc.), Moritz Moß (M. Sc.), Lübbert, Christian, Dr. Lisa Stiegler

Project summary:

The objective is the comprehensive multidimensional characterisation of particle ensembles. We will develop new methodologies for the quantitative characterisation of nanoparticles with respect to size, density, shape and optical properties (extinction and emission) by means of combined centrifugation and gas phase analytics. In addition, we will perform systematic non-ideality studies using analytical (ultra)centrifugation. We will determine the effect of concentration on the sedimentation and diffusive properties of nanoparticles for narrow and gradually more complex size distributions and will further combine these investigations with supplementary, surface sensitive techniques.

Publications:

  • W. Peukert and A. Bück, “Green” particle technology: Its history, successes, and open issues. Powder Technology 2024, 448, 120255 (Project B02, C04).
  • Z. Wang, K. D. Wegner, L. M. S. Stiegler, X. Zhou, A. Rezvani, A. S. Odungat, B. Apeleo Zubiri, M. Wu, E. Spiecker, J. Walter, U. Resch-Genger and D. Segets, Optimizing the Shelling Process of InP/ZnS Quantum Dots Using a Single-Source Shell Precursor: Implications for Lighting and Display Applications. ACS Applied Nano Materials 2024, 7 (20), 24262-24273 (Project A02, C04, C05).
  • Ö. Akyüz, M. Brodhag, V. Lautenbach, M. Krumova, G. Onishchukov, J. Walter, J. A. Gavira and H. Cölfen, Hydrolase and Peroxidase Activity of Gold Nanocluster Composites with Lysozyme and Cross-Linked Lysozyme Crystals. ACS Applied Nano Materials 2024, DOI: 10.1021/acsanm.4c04696 (Project C04).
  • A. Wolf, H. Zhou, P. Groppe, L. M. S. Stiegler, T. Kämäräinen, W. Peukert, J. Walter, S. Wintzheimer and K. Mandel, Nanoparticle Clustering in Supraparticles to Control Magnetic Long-Range Interactions. Particle & Particle Systems Characterization 2024, 2400180 (Project A04, C04).
  • V. Wedler, L. M. S. Stiegler, T. Gandziarowski, J. Walter, W. Peukert, L. V. R. Distel, A. Hirsch and S. Klein, Shell-by-Shell functionalized nanoparticles as radiosensitizers and radioprotectors in radiation therapy of cancer cells and tumor spheroids. Colloids and Surfaces B: Biointerfaces 2024, 245, 114276 (Project C04).
  • C. Damm, D. Long, J. Walter and W. Peukert, Size and Shape Selective Classification of Nanoparticles. Powders 2024, 3 (2), 255-279 (Project B04, C04).
  • C. Lübbert and W. Peukert, Characterization of complex particle properties by mobility-classified mass spectrometry – A case study for glutathione capped gold nanoclusters. Journal of Aerosol Science 2024, 106345 (Project C04, B04).
  • V. Lautenbach, G. Onishchukov, S. E. Wawra, U. Frank, L. Hartmann, W. Peukert and J. Walter, Development of an advanced multiwavelength emission detector for the analytical ultracentrifuge. Nanoscale Advances 2024, 6 (10), 2611-2622 (Project A01, C04).
  • A. Baer, S. E. Wawra, K. Bielmeier, M. J. Uttinger, D. M. Smith, W. Peukert, J. Walter and A.-S. Smith, The Stokes–Einstein–Sutherland Equation at the Nanoscale Revisited. Small 2024, 2304670 (Project C04, D01).
  • N. E. Traoré, T. Schikarski, A. Körner, P. Cardenas Lopez, L. Hartmann, B. Fritsch, J. Walter, A. Hutzler, L. Pflug and W. Peukert, Mechanistic insights into silver-gold nanoalloy formation by two-dimensional population balance modeling. Chemical Engineering Journal 2024, 149429 (Project A01, C04, D03).
  • A. Wolf, A. Zink, L. M. S. Stiegler, R. Branscheid, B. Apeleo Zubiri, S. Müssig, W. Peukert, J. Walter, E. Spiecker and K. Mandel, Magnetic in situ determination of surface coordination motifs by utilizing the degree of particle agglomeration. Journal of Colloid and Interface Science 2023, 648, 633-643 (Project A04, C01, C04).
  • Z. Wang, N. E. Traoré, T. Schikarski, L. Stiegler, D. Drobek, B. A. Zubiri, E. Spiecker, J. Walter, W. Peukert, L. Pflug and D. Segets, Population balance modeling of InP formation in an automated synthesis platform. Chemical Engineering Science 2023, 281, 119062 (Project A01, A02, C01, C04, D03).
  • C. Lübbert, M. Supper, M. Kaspereit, J. Walter and W. Peukert, Single molecule pycnometry and shape analysis of ions in the gas phase. Anal. Chem. 2023, 95 (35), 13010–13017 (Project B05, C04).
  • M. Biegel, T. Schikarski, P. Cardenas Lopez, L. Gromotka, C. Lübbert, A. Völkl, C. Damm, J. Walter and W. Peukert, Efficient quenching sheds light on early stages of gold nanoparticle formation. RSC Advances 2023, 13 (26), 18001-18013 (Project A01, C04).
  • L. Gromotka, C. Lübbert, N. Traoré and W. Peukert, Green and Scalable Fractionation of Gold Nanoclusters by Anion Exchange Chromatography: Proof of Principle and Scale-Up. ACS Applied Nano Materials 2023, 6 (8), 6953–6962 (Project A01, B04, C04).
  • U. Frank, J. Dienstbier, F. Tischer, S. E. Wawra, L. Gromotka, J. Walter, F. Liers and W. Peukert, Multidimensional Fractionation of Particles. Separations 2023, 10 (4), 252 (Project B04, C04, D06).
  • U. Frank, D. Drobek, A. Sánchez-Iglesias, S. E. Wawra, N. Nees, J. Walter, L. Pflug, B. Apeleo Zubiri, E. Spiecker, L. M. Liz-Marzán and W. Peukert, Determination of 2D Particle Size Distributions in Plasmonic Nanoparticle Colloids via Analytical Ultracentrifugation: Application to Gold Bipyramids. ACS Nano 2023, 17 (6), 5785-5798 (Project C01, C04, D03, D05).
  • N. E. Traoré, M. J. Uttinger, P. Cardenas Lopez, D. Drobek, L. Gromotka, J. Schmidt, J. Walter, B. Apeleo Zubiri, E. Spiecker and W. Peukert, Green room temperature synthesis of silver–gold alloy nanoparticles. Nanoscale Advances 2023, 5 (5), 1450-1464 (Project A01, B04, C01, C04).
  • L. Gromotka, M. J. Uttinger, C. Schlumberger, M. Thommes and W. Peukert, Classification and characterization of multimodal nanoparticle size distributions by size-exclusion chromatography. Nanoscale 2022, 14 (46), 17354-17364 (Project B03, B04, C04).
  • P. Cardenas Lopez, M. J. Uttinger, N. E. Traoré, H. A. Khan, D. Drobek, B. Apeleo Zubiri, E. Spiecker, L. Pflug, W. Peukert and J. Walter, Multidimensional characterization of noble metal alloy nanoparticles by multiwavelength analytical ultracentrifugation. Nanoscale 2022, 14 (35), 12928-12939 (Project A01, C01, C04, D03).
  • M. Distaso, V. Lautenbach, M. J. Uttinger, J. Walter, C. Lübbert, T. Thajudeen and W. Peukert, A widely applicable method to stabilize nanoparticles comprising oxygen-rich functional groups. Powder Technology 2022, 117633 (Project A01, C04).
  • M. Rey, J. Walter, J. Harrer, C. M. Perez, S. Chiera, S. Nair, M. Ickler, A. Fuchs, M. Michaud, M. J. Uttinger, A. B. Schofield, J. H. J. Thijssen, M. Distaso, W. Peukert and N. Vogel, Versatile strategy for homogeneous drying patterns of dispersed particles. Nature Communications 2022, 13 (1), 2840 (Project A05, C04).
  • D. Jung, M. J. Uttinger, P. Malgaretti, W. Peukert, J. Walter and J. Harting, Hydrodynamic simulations of sedimenting dilute particle suspensions under repulsive DLVO interactions. Soft Matter 2022, 18 (11), 2157-2167 (Project C04, D02).
  • T. Meincke, J. Walter, L. Pflug, T. Thajudeen, A. Völkl, P. Cardenas Lopez, M. J. Uttinger, M. Stingl, S. Watanabe, W. Peukert and R. N. Klupp Taylor, Determination of the yield, mass and structure of silver patches on colloidal silica using multiwavelength analytical ultracentrifugation. Journal of Colloid and Interface Science 2022, 607, 698-710 (Project A03, C04, D05).
  • U. Frank, M. J. Uttinger, S. E. Wawra, C. Lübbert and W. Peukert, Progress in Multidimensional Particle Characterization. KONA Powder and Particle Journal 2022, advpub,  (Project C04).
  • C. Lübbert and W. Peukert, Characterization of Electrospray Drop Size Distributions by Mobility-Classified Mass Spectrometry: Implications for Ion Clustering in Solution and Ion Formation Pathways. Analytical Chemistry 2021, 93 (38), 12862-12871 (Project C04).
  • A. Hegetschweiler, A.-R. Jochem, A. Zimmermann, J. Walter, T. Staudt and T. Kraus, Colloidal Analysis of Particles Extracted from Microalloyed Steels. Particle & Particle Systems Characterization 2021, 38 (7), 2000236 (Project C04).
  • M. J. Uttinger, D. Jung, N. Dao, H. Canziani, C. Lübbert, N. Vogel, W. Peukert, J. Harting and J. Walter, Probing sedimentation non-ideality of particulate systems using analytical centrifugation. Soft Matter 2021, 17 (10), 2803-2814 (Project A05, C04, D02).
  • M. J. Uttinger, S. Boldt, S. E. Wawra, T. D. Freiwald, C. Damm, J. Walter, D. Lerche and W. Peukert, New Prospects for Particle Characterization Using Analytical Centrifugation with Sector-Shaped Centerpieces. Particle & Particle Systems Characterization 2020, 37 (7), 2000108 (Project C04).
  • M. Rey, M. J. Uttinger, W. Peukert, J. Walter and N. Vogel, Probing particle heteroaggregation using analytical centrifugation. Soft Matter 2020, 16 (14), 3407-3415 (Project A05, C04).

Principal investigators:

Prof. Dr. rer. nat. habil. Erdmann Spiecker
Institute of Micro- and Nanostructure Research (external link)

Researchers:

Alexander Götz (M. Sc.)

Project summary:

The project uses high-resolution, tomographic and in situ electron and X-ray microscopy techniques for the 3D analysis of particles and assemblies. Obtained characteristics include 3D shape, composition and internal defects and serve as input for process optimisation, ensemble studies, modelling of optical properties and self-assembly. Monochromated electron energy loss spectroscopy will directly map plasmon resonances of individual NPs, assemblies and patchy particles, for comparison with simulations. Finally, we will establish in situ and correlative X-ray/light microscopy techniques to gain insight into the defect formation and their impact on structural colour of SPs.

Publications:

  • Z. Wang, K. D. Wegner, L. M. S. Stiegler, X. Zhou, A. Rezvani, A. S. Odungat, B. Apeleo Zubiri, M. Wu, E. Spiecker, J. Walter, U. Resch-Genger and D. Segets, Optimizing the Shelling Process of InP/ZnS Quantum Dots Using a Single-Source Shell Precursor: Implications for Lighting and Display Applications. ACS Applied Nano Materials 2024, 7 (20), 24262-24273 (Project A02, C04, C05).
  • J. S. Seifert, N. Nees, H. Khan, N. E. Traoré, D. Drobek, W. Peukert, B. Apeleo Zubiri, E. Spiecker, M. Stingl, L. Pflug and R. N. Klupp Taylor, Continuous flow synthesis and simulation-supported investigation of tunable plasmonic gold patchy nanoparticles. Nanoscale 2024, 16 (41), 19284-19297 (Project A01, A03, C05, D03, D05).
  • D. Hoffmeister, S. Finger, L. Fiedler, T.-C. Ma, A. Körner, M. Zlatar, B. Fritsch, K. W. Bodnar, S. Carl, A. Götz, B. A. Zubiri, J. Will, E. Spiecker, S. Cherevko, A. T. S. Freiberg, K. J. J. Mayrhofer, S. Thiele, A. Hutzler and C. van Pham, Photodeposition-Based Synthesis of TiO2@IrOx Core–Shell Catalyst for Proton Exchange Membrane Water Electrolysis with Low Iridium Loading. Advanced Science 2024, 11 (30), 2402991 (Project C01, C05).
  • S. Kreuz, B. Apeleo Zubiri, S. Englisch, M. Buwen, S.-G. Kang, R. Ramachandramoorthy, E. Spiecker, F. Liers and J. Rolfes, Improving reconstructions in nanotomography for homogeneous materials via mathematical optimization. Nanoscale Advances 2024, 6 (15), 3934-3947 (Project C01, C05, D06).
  • N. E. Traoré, M. Berthold, L. Hartmann, P. Schmul, B. Apeleo Zubiri, E. Spiecker and W. Peukert, Tailoring the Reaction Pathway for Control of Size and Composition of Silver–Gold Alloy Nanoparticles. The Journal of Physical Chemistry C 2024, 128 (21), 8660-8671 (Project A01, C05).
  • S. Carl, J. Will, N. Madubuko, A. Götz, T. Przybilla, M. Wu, N. Raman, J. Wirth, N. Taccardi, B. A. Zubiri, M. Haumann, P. Wasserscheid and E. Spiecker, Structural Evolution of GaOx-Shell and Intermetallic Phases in Ga–Pt Supported Catalytically Active Liquid Metal Solutions. The Journal of Physical Chemistry Letters 2024, 15 (17), 4711-4720 (Project C01, C05).
  • L. Gromotka, M. Biegel, C. Damm, N. Traoré, D. Drobek, E. Spiecker and W. Peukert, Combined continuous nanoparticle synthesis with chromatographic size classification. Advanced Powder Technology 2024, 35 (1), 104294 (Project A01, B04, C05).

Research Area D: Modelling and Optimization

Principal investigator:

Prof. Dr. Ana-Sunčana Smith
Physics Underlying Life Sciences (PULS) Research Group (external link)

Researchers:

Rustam Durdyyev (M. Sc.), Arsha Cherian (M. Sc.)

Project summary:

The objective is to establish strategies for the targeted design of nanoparticles and solid pores based on the unique information gained from first-principles molecular modelling studies. We will make use of advanced simulations of nanoparticles in bulk and confined liquids to understand the relation between the molecular and mean-field description of the nanoparticle thermodynamic properties, interaction potentials, and emergent correlations. We will use these results to optimize the experiments and enable parametrisation of mesoscopic simulations with the aim of understanding and tailoring nanoparticle stability and separation in complex geometries.

Publications:

  • C. C. Collados, C. Huber, J. Söllner, J.-P. Grass, A. Inayat, R. Durdyyev, A.-S. Smith, D. Wisser, M. Hartmann and M. Thommes, Assessment of Hydrophilicity/Hydrophobicity in Mesoporous Silica by Combining Adsorption, Liquid Intrusion, and Solid-State NMR Spectroscopy. Langmuir 2024, 40 (25), 12853-12867 (Project C02, B04, D01).
  • K. Höllring, A. Baer, N. Vučemilović-Alagić, D. M. Smith and A.-S. Smith, Anisotropic molecular diffusion in confinement II: A model for structurally complex particles applied to transport in thin ionic liquid films. Journal of Colloid and Interface Science 2024, 657, 272-289 (Project D01).
  • A. Baer, S. E. Wawra, K. Bielmeier, M. J. Uttinger, D. M. Smith, W. Peukert, J. Walter and A.-S. Smith, The Stokes–Einstein–Sutherland Equation at the Nanoscale Revisited. Small 2024, 2304670 (Project C04, D01).
  • L. Lüer, I. M. Peters, A. S. Smith, E. Dorschky, B. M. Eskofier, F. Liers, J. Franke, M. Sjarov, M. Brossog, D. M. Guldi, A. Maier and C. J. Brabec, A digital twin to overcome long-time challenges in photovoltaics. Joule 2024,  (Project D01, D06).
  • K. Höllring, A. Baer, N. Vučemilović-Alagić, D. M. Smith and A.-S. Smith, Anisotropic molecular diffusion in confinement I: Transport of small particles in potential and density gradients. Journal of Colloid and Interface Science 2023, 650, 1930-1940 (Project D01).
  • A. Baer, P. Malgaretti, M. Kaspereit, J. Harting and A.-S. Smith, Modelling diffusive transport of particles interacting with slit nanopore walls: The case of fullerenes in toluene filled alumina pores. Journal of Molecular Liquids 2022, 368, 120636 (Project B05, D01, D02).
  • S. Ziegler and A.-S. Smith, Hydrodynamic particle interactions in linear and radial viscosity gradients. Journal of Fluid Mechanics 2022, 943, A29 (Project D01).
  • M. Cvitković, D. Ghanti, N. Raake and A.-S. Smith, Crowding competes with trapping to enhance interfacial diffusion. The European Physical Journal Plus 2022, 137 (3), 355 (Project D01).
  • M. Hubert, O. Trosman, Y. Collard, A. Sukhov, J. Harting, N. Vandewalle and A. S. Smith, Scallop Theorem and Swimming at the Mesoscale. Physical Review Letters 2021, 126 (22), 224501 (Project D01, D02).
  • N. Kulyk, D. Berger, A.-S. Smith and J. Harting, Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme. Computer Physics Communications 2020, 256, 107443 (Project D01, D02).
  • R. Stepić, L. Jurković, K. Klementyeva, M. Ukrainczyk, M. Gredičak, D. M. Smith, D. Kralj and A.-S. Smith, Adsorption of Aspartate Derivatives to Calcite Surfaces in Aqueous Environment. Crystal Growth & Design 2020, 20 (5), 2853-2859 (Project D01).

Principal investigator:

Prof. Dr. Jens Harting
Dynamics of Complex Fluids and Interfaces Group, Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (external link)

Researchers:

Dr. Paolo Malgaretti, Sukhov, Alexander

Project summary:

The objective is to gain a fundamental understanding of the transport properties of nanoparticles in suspension and in realistic porous structures. Such situations are relevant during particle synthesis and chromatographic separation. Using mesoscale lattice Boltzmann simulations, we will bridge the gap between nanoscale molecular dynamics simulations and macroscale continuum models. Collective behaviour and material parameters have an impact on the transport properties or separation efficiency and will be investigated and optimized systematically.

Publications:

  • G. C. Antunes, M. Jiménez-Sánchez, P. Malgaretti, J. Bachmann and J. Harting, The interplay of shape and catalyst distribution in the yield of compressible flow microreactors. The Journal of Chemical Physics 2024, 161 (12), 124708 (Project D02).
  • P. Malgaretti, I. Pagonabarraga and J. Harting, Local electroneutrality breakdown for electrolytes within varying-section nanopores. The European Physical Journal E 2024, 47 (2), 15 (Project D02).
  • G. C. Antunes, P. Malgaretti and J. Harting, Turning catalytically active pores into active pumps. The Journal of Chemical Physics 2023, 159 (13), 134903 (Project D02).
  • W. Wu, J. Cui, U. Sultan, L. Gromotka, P. Malgaretti, C. Damm, J. Harting, N. Vogel, W. Peukert, A. Inayat and A. P. Fröba, Diffusion of gold nanoparticles in porous silica monoliths determined by dynamic light scattering. Journal of Colloid and Interface Science 2023, 641, 251-264 (Project B01, B04, C03, D02).
  • P. Malgaretti and J. Harting, Closed Formula for Transport across Constrictions. Entropy 2023, 25 (3), 470 (Project D02).
  • A. Gubbiotti, M. Baldelli, G. Di Muccio, P. Malgaretti, S. Marbach and M. Chinappi, Electroosmosis in nanopores: computational methods and technological applications. Advances in Physics: X 2022, 7 (1), 2036638 (Project D02).
  • A. Baer, P. Malgaretti, M. Kaspereit, J. Harting and A.-S. Smith, Modelling diffusive transport of particles interacting with slit nanopore walls: The case of fullerenes in toluene filled alumina pores. Journal of Molecular Liquids 2022, 368, 120636 (Project B05, D01, D02).
  • Z. Zhang, A. Sukhov, J. Harting, P. Malgaretti and D. Ahmed, Rolling microswarms along acoustic virtual walls. Nat. Commun. 2022, 13 (1), 7347 (Project D02).
  • G. C. Antunes, P. Malgaretti, J. Harting and S. Dietrich, Pumping and Mixing in Active Pores. Physical Review Letters 2022, 129 (18), 188003 (Project D02).
  • O. Aouane, M. Sega, B. Bäuerlein, K. Avila and J. Harting, Inertial focusing of a dilute suspension in pipe flow. Physics of Fluids 2022, in press (Project D02).
  • D. Jung, M. J. Uttinger, P. Malgaretti, W. Peukert, J. Walter and J. Harting, Hydrodynamic simulations of sedimenting dilute particle suspensions under repulsive DLVO interactions. Soft Matter 2022, 18 (11), 2157-2167 (Project C04, D02).
  • E. S. Asmolov, T. V. Nizkaya, J. Harting and O. I. Vinogradova, Instability of particle inertial migration in shear flow. Physics of Fluids 2021, 33 (9), 092008 (Project D02).
  • P. Malgaretti and J. Harting, Phoretic colloids close to and trapped at fluid interfaces. ChemNanoMat 2021, 7(10), 1073-1081 (Project D02).
  • M. Hubert, O. Trosman, Y. Collard, A. Sukhov, J. Harting, N. Vandewalle and A. S. Smith, Scallop Theorem and Swimming at the Mesoscale. Physical Review Letters 2021, 126 (22), 224501 (Project D01, D02).
  • M. F. Carusela, P. Malgaretti and J. M. Rubi, Antiresonant driven systems for particle manipulation. Physical Review E 2021, 103 (6), 062102 (Project D02).
  • M. J. Uttinger, D. Jung, N. Dao, H. Canziani, C. Lübbert, N. Vogel, W. Peukert, J. Harting and J. Walter, Probing sedimentation non-ideality of particulate systems using analytical centrifugation. Soft Matter 2021, 17(10), 2803-2814 (Project A05, C04, D02).
  • P. Malgaretti and J. Harting, Transport of neutral and charged nanorods across varying-section channels. Soft Matter 2021, 17 (8), 2062-2070 (Project D02).
  • N. Kulyk, D. Berger, A.-S. Smith and J. Harting, Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme. Computer Physics Communications 2020, 256, 107443 (Project D01, D02).

Principal investigator:

Dr. Lukas Pflug
Chair of Applied Mathematics (Continuous Optimization) (external link)

Researchers:

Adeel Muneer (M. Sc.)

Project summary:

The objective is the model-based optimization of the synthesis and the chromatographic separation of nanoparticles. Building on the analysis of a unifying nonlocal balance law, efficient numerical solution schemes will be developed. The basis for these is the mathematical structure of the equation, which allows the construction of semi-analytic solutions. For the optimization of processes, optimality conditions will be analytically derived, which are the starting point for gradient-based optimization methods. In cooperation with the synthesis and chromatographic separation projects these will be applied to technical processes.

Publications:

  • J. S. Seifert, N. Nees, H. Khan, N. E. Traoré, D. Drobek, W. Peukert, B. Apeleo Zubiri, E. Spiecker, M. Stingl, L. Pflug and R. N. Klupp Taylor, Continuous flow synthesis and simulation-supported investigation of tunable plasmonic gold patchy nanoparticles. Nanoscale 2024, 16 (41), 19284-19297 (Project A01, A03, C05, D03, D05).
  • A. Mousavi, A. Uihlein, L. Pflug and E. Wadbro, Topology optimization of broadband acoustic transition section: a comparison between deterministic and stochastic approaches. Structural and Multidisciplinary Optimization 2024, 67 (5), 67 (Project D03, D05).
  • M. Grieshammer, L. Pflug, M. Stingl and A. Uihlein, The continuous stochastic gradient method: part II–application and numerics. Computational Optimization and Applications 2024, 87 (3), 977-1008 (Project D03, D05).
  • M. Grieshammer, L. Pflug, M. Stingl and A. Uihlein, The continuous stochastic gradient method: part I–convergence theory. Computational Optimization and Applications 2024, 87 (3), 935-976 (Project D03, D05).
  • J. Friedrich, S. Göttlich, A. Keimer and L. Pflug, Conservation Laws with Nonlocal Velocity: The Singular Limit Problem. SIAM Journal on Applied Mathematics 2024, 84 (2), 497-522 (Project D03).
  • C. Bittner, G. Bleyer, N. Nees, M. Carneiro, L. Pflug, M. Stingl and N. Vogel, Optimizing Color Saturation in Colloidal Photonic Crystals by Control of Absorber Amount and Distribution. Advanced Materials Interfaces 2024, 2300986 (Project A05, D03, D05).
  • N. E. Traoré, T. Schikarski, A. Körner, P. Cardenas Lopez, L. Hartmann, B. Fritsch, J. Walter, A. Hutzler, L. Pflug and W. Peukert, Mechanistic insights into silver-gold nanoalloy formation by two-dimensional population balance modeling. Chemical Engineering Journal 2024, 149429 (Project A01, C04, D03).
  • M. Kuchlbauer, J. Dienstbier, A. Muneer, H. Hedges, M. Stingl, F. Liers and L. Pflug, Quality control in particle precipitation via robust optimization. Computers & Chemical Engineering 2024, 108619 (Project D03, D06).
  • N. E. Traoré, C. Spruck, A. Uihlein, L. Pflug and W. Peukert, Targeted color design of silver–gold alloy nanoparticles. Nanoscale Advances 2024, 6 (5), 1392-1408 (Project A01, D03, D05).
  • A. Keimer and L. Pflug, On the singular limit problem for a discontinuous nonlocal conservation law. Nonlinear Analysis 2023, 237, 113381 (Project D03).
  • Z. Wang, N. E. Traoré, T. Schikarski, L. Stiegler, D. Drobek, B. A. Zubiri, E. Spiecker, J. Walter, W. Peukert, L. Pflug and D. Segets, Population balance modeling of InP formation in an automated synthesis platform. Chemical Engineering Science 2023, 281, 119062 (Project A01, A02, C01, C04, D03).
  • U. Frank, D. Drobek, A. Sánchez-Iglesias, S. E. Wawra, N. Nees, J. Walter, L. Pflug, B. Apeleo Zubiri, E. Spiecker, L. M. Liz-Marzán and W. Peukert, Determination of 2D Particle Size Distributions in Plasmonic Nanoparticle Colloids via Analytical Ultracentrifugation: Application to Gold Bipyramids. ACS Nano 2023, 17 (6), 5785-5798 (Project C01, C04, D03, D05).
  • A. Keimer and L. Pflug, Nonlocal balance laws–an overview over recent results. In Handbook on Numerical Analysis; Numerical Control: Part B, Trélat, E.; Zuazua, E., Eds. North Holland: 2023, (Project D03).
  • E. Bänsch, L. Pflug and T. Schikarski, Highly accurate and numerical tractable coupling of nanoparticle nucleation, growth and fluid flow. Chemical Engineering Research and Design 2023, 190, 814-828 (Project D03).
  • G. M. Coclite, J.-M. Coron, N. De Nitti, A. Keimer and L. Pflug, A general result on the approximation of local conservation laws by nonlocal conservation laws: The singular limit problem for exponential kernels. Ann. Inst. H. Poincaré Anal. Non Linéaire 2022,  (Project D03).
  • G. M. Coclite, N. De Nitti, A. Keimer and L. Pflug, On existence and uniqueness of weak solutions to nonlocal conservation laws with BV kernels. Zeitschrift für angewandte Mathematik und Physik 2022, 73 (6), 241 (Project D03).
  • A. Uihlein, L. Pflug and M. Stingl, Optimizing Color of Particulate Products. Proceedings in Applied Mathematics and Mechanics 2022,  (Project D03, D05).
  • P. Cardenas Lopez, M. J. Uttinger, N. E. Traoré, H. A. Khan, D. Drobek, B. Apeleo Zubiri, E. Spiecker, L. Pflug, W. Peukert and J. Walter, Multidimensional characterization of noble metal alloy nanoparticles by multiwavelength analytical ultracentrifugation. Nanoscale 2022, 14 (35), 12928-12939 (Project A01, C01, C04, D03).
  • N. Nees, L. Pflug, B. Mann and M. Stingl, Multi-material design optimization of optical properties of particulate products by discrete dipole approximation and sequential global programming. Structural and Multidisciplinary Optimization 2022,  (Project D03, D05).
  • A. Bayen, J. Friedrich, A. Keimer, L. Pflug and T. Veeravalli, Modeling Multilane Traffic with Moving Obstacles by Nonlocal Balance Laws. SIAM Journal on Applied Dynamical Systems 2022, 21 (2), 1495-1538 (Project D03).
  • T. Meincke, J. Walter, L. Pflug, T. Thajudeen, A. Völkl, P. Cardenas Lopez, M. J. Uttinger, M. Stingl, S. Watanabe, W. Peukert and R. N. Klupp Taylor, Determination of the yield, mass and structure of silver patches on colloidal silica using multiwavelength analytical ultracentrifugation. Journal of Colloid and Interface Science 2022, 607, 698-710 (Project A03, C04, D03, D05).
  • J. Dienstbier, K.-M. Aigner, J. Rolfes, W. Peukert, D. Segets, L. Pflug and F. Liers, Robust optimization in nanoparticle technology: A proof of principle by quantum dot growth in a residence time reactor. Computers & Chemical Engineering 2022, 157, 107618 (Project A01, A02, D03, D06).
  • G. M. Coclite, N. De Nitti, A. Keimer and L. Pflug, Singular limits with vanishing viscosity for nonlocal conservation laws. Nonlinear Analysis 2021, 211, 112370 (Project D03).
  • A. Bayen, J.-M. Coron, N. De Nitti, A. Keimer and L. Pflug, Boundary Controllability and Asymptotic Stabilization of a Nonlocal Traffic Flow Model. Vietnam Journal of Mathematics 2021, 49 (3), 957-985 (Project D03).
  • J.-M. Coron, A. Keimer and L. Pflug, Nonlocal Transport Equations—Existence and Uniqueness of Solutions and Relation to the Corresponding Conservation Laws. SIAM Journal on Mathematical Analysis 2020, 52 (6), 5500-5532 (Project D03).
  • L. Pflug, N. Bernhardt, M. Grieshammer and M. Stingl, CSG: A new stochastic gradient method for the efficient solution of structural optimization problems with infinitely many states. Structural and Multidisciplinary Optimization 2020, 61 (6), 2595-2611 (Project D03, D05).
  • L. Pflug, T. Schikarski, A. Keimer, W. Peukert and M. Stingl, eMoM: Exact method of moments—Nucleation and size dependent growth of nanoparticles. Computers & Chemical Engineering 2020, 136, 106775 (Project A01, D03).
  • M. Spinola, A. Keimer, D. Segets, G. Leugering and L. Pflug, Model-Based Optimization of Ripening Processes with Feedback Modules. Chemical Engineering & Technology 2020, 43 (5), 896-903 (Project A02, D03).

Principal investigator:

Prof. Dr. Michael Engel
Self-Organization Processes Research Group (external link)

Researchers:

Federico Tomazic (M. Sc.), Dr. Carlos Lange Bassani, Muttathukattil, Aswathy

Project summary:

The objective is to model the route from nanoparticles and colloids to assemblies and aggregates. We simulate tens of thousands up to millions of particles using implicit solvent. The first aim is the prediction and optimization of the assembly of structural colour pigments and thin films. The second aim is the elucidation of individual and collective aggregation processes during the formation of network materials to guide the fabrication of porous matrices. As such, the project bridges the synthesis of colloidal nanoparticles and the resulting materials on the one hand as well as characterisation and materials optimization efforts on the other hand.

Publications:

  • F. Tomazic, A. Muttathukattil, A. Nabiyan, F. Schacher and M. Engel, Geometric Frustration Directs the Self-assembly of Nanoparticles with Crystallized Ligand Bundles. The Journal of Physical Chemistry B 2024, 128 (45), 11258-11266 (Project D04).
  • C. L. Bassani, G. van Anders, U. Banin, D. Baranov, Q. Chen, M. Dijkstra, M. S. Dimitriyev, E. Efrati, J. Faraudo, O. Gang, N. Gaston, R. Golestanian, G. I. Guerrero-Garcia, M. Gruenwald, A. Haji-Akbari, M. Ibáñez, M. Karg, T. Kraus, B. Lee, R. C. Van Lehn, R. J. Macfarlane, B. M. Mognetti, A. Nikoubashman, S. Osat, O. V. Prezhdo, G. M. Rotskoff, L. Saiz, A.-C. Shi, S. Skrabalak, I. I. Smalyukh, M. Tagliazucchi, D. V. Talapin, A. V. Tkachenko, S. Tretiak, D. Vaknin, A. Widmer-Cooper, G. C. L. Wong, X. Ye, S. Zhou, E. Rabani, M. Engel and A. Travesset, Nanocrystal Assemblies: Current Advances and Open Problems. ACS Nano 2024, 18 (23), 14791-14840 (Project D04).
  • Y. Wang, J. Chen, R. Li, A. Götz, D. Drobek, T. Przybilla, S. Hübner, P. Pelz, L. Yang, B. Apeleo Zubiri, E. Spiecker, M. Engel and X. Ye, Controlled Self-Assembly of Gold Nanotetrahedra into Quasicrystals and Complex Periodic Supracrystals. Journal of the American Chemical Society 2023, 145 (32), 17902-17911 (Project C01, D04).
  • C. F. Mbah, J. Wang, S. Englisch, P. Bommineni, N. Roxana, Varela-Rosales, E. Spiecker, N. Vogel and M. Engel, Early-Stage Bifurcation of Crystallization in a Sphere. Nat. Commun. 2023, 14 (1), 5299 (Project A05, C01, D04).
  • S. L. A. Bueno, A. Leonardi, N. Kar, K. Chatterjee, X. Zhan, C. Chen, Z. Wang, M. Engel, V. Fung and S. E. Skrabalak, Quinary, Senary, and Septenary High Entropy Alloy Nanoparticle Catalysts from Core@Shell Nanoparticles and the Significance of Intraparticle Heterogeneity. ACS Nano 2022,  (Project D04).
  • J. Wang, Y. Liu, G. Bleyer, E. S. A. Goerlitzer, S. Englisch, T. Przybilla, C. F. Mbah, M. Engel, E. Spiecker, I. Imaz, D. Maspoch and N. Vogel, Coloration in Supraparticles Assembled from Polyhedral Metal-Organic Framework Particles. Angewandte Chemie International Edition 2022, 61 (16), e202117455 (Project A05, C01, D04).
  • Y. Liu, M. Klement, Y. Wang, Y. Zhong, B. Zhu, J. Chen, M. Engel and X. Ye, Macromolecular Ligand Engineering for Programmable Nanoprism Assembly. Journal of the American Chemical Society 2021, 143(39), 16163-16172 (Project D04).
  • M. Klement, S. Lee, J. A. Anderson and M. Engel, Newtonian Event-Chain Monte Carlo and Collision Prediction with Polyhedral Particles. Journal of Chemical Theory and Computation 2021, 17 (8), 4686-4696 (Project D04).
  • D. V. Talapin, M. Engel and P. V. Braun, Functional materials and devices by self-assembly. MRS Bulletin 2020, 45 (10), 799-806 (Project D04).
  • J. T. L. Gamler, A. Leonardi, X. Sang, K. M. Koczkur, R. R. Unocic, M. Engel and S. E. Skrabalak, Effect of lattice mismatch and shell thickness on strain in core@shell nanocrystals. Nanoscale Advances 2020, 2 (3), 1105-1114 (Project D04).

Principal investigator:

Prof. Dr. rer. nat. Michael Stingl
Chair of Applied Mathematics (Continuous Optimization) (external link)

Researchers:

Nico Nees (M. Sc.)

Project summary:

The objective is the development of a mathematical framework which allows to conclude from desired optical properties to a corresponding optimized configuration of single particles as well as particle assemblies. A structural optimization approach based on discrete dipole approximations is explored to allow for a design space with sufficiently high resolution and enabling the prediction of structure-property relations of individual particles. For particle assemblies a structural optimization method based on a generalised hybrid finite element approach is established. Finally, dispersity and angle independency are taken into account by a new stochastic optimization method.

Publications:

  • J. S. Seifert, N. Nees, H. Khan, N. E. Traoré, D. Drobek, W. Peukert, B. Apeleo Zubiri, E. Spiecker, M. Stingl, L. Pflug and R. N. Klupp Taylor, Continuous flow synthesis and simulation-supported investigation of tunable plasmonic gold patchy nanoparticles. Nanoscale 2024, 16 (41), 19284-19297 (Project A01, A03, C05, D03, D05).
  • A. Mousavi, A. Uihlein, L. Pflug and E. Wadbro, Topology optimization of broadband acoustic transition section: a comparison between deterministic and stochastic approaches. Structural and Multidisciplinary Optimization 2024, 67 (5), 67 (Project D03, D05).
  • P. Gangl, N. Nees and M. Stingl, Efficient and Accurate Separable Models for Discretized Material Optimization: A Continuous Perspective Based on Topological Derivatives. The Journal of Geometric Analysis 2024, 34 (7), 206 (Project D05).
  • M. Grieshammer, L. Pflug, M. Stingl and A. Uihlein, The continuous stochastic gradient method: part II–application and numerics. Computational Optimization and Applications 2024, 87 (3), 977-1008 (Project D03, D05).
  • M. Grieshammer, L. Pflug, M. Stingl and A. Uihlein, The continuous stochastic gradient method: part I–convergence theory. Computational Optimization and Applications 2024, 87 (3), 935-976 (Project D03, D05).
  • C. Bittner, G. Bleyer, N. Nees, M. Carneiro, L. Pflug, M. Stingl and N. Vogel, Optimizing Color Saturation in Colloidal Photonic Crystals by Control of Absorber Amount and Distribution. Advanced Materials Interfaces 2024, 2300986 (Project A05, D03, D05).
  • N. E. Traoré, C. Spruck, A. Uihlein, L. Pflug and W. Peukert, Targeted color design of silver–gold alloy nanoparticles. Nanoscale Advances 2024, 6 (5), 1392-1408 (Project A01, D03, D05).
  • U. Frank, D. Drobek, A. Sánchez-Iglesias, S. E. Wawra, N. Nees, J. Walter, L. Pflug, B. Apeleo Zubiri, E. Spiecker, L. M. Liz-Marzán and W. Peukert, Determination of 2D Particle Size Distributions in Plasmonic Nanoparticle Colloids via Analytical Ultracentrifugation: Application to Gold Bipyramids. ACS Nano 2023, 17 (6), 5785-5798 (Project C01, C04, D03, D05).
  • M. Kuchlbauer, F. Liers and M. Stingl, Outer Approximation for Mixed-Integer Nonlinear Robust Optimization. Journal of Optimization Theory and Applications 2022, 195 (3), 1056-1086 (Project D05, D06).
  • A. Uihlein, L. Pflug and M. Stingl, Optimizing Color of Particulate Products. Proceedings in Applied Mathematics and Mechanics 2022,  (Project D05).
  • N. Nees, L. Pflug, B. Mann and M. Stingl, Multi-material design optimization of optical properties of particulate products by discrete dipole approximation and sequential global programming. Structural and Multidisciplinary Optimization 2022,  (Project D05).
  • T. Meincke, J. Walter, L. Pflug, T. Thajudeen, A. Völkl, P. Cardenas Lopez, M. J. Uttinger, M. Stingl, S. Watanabe, W. Peukert and R. N. Klupp Taylor, Determination of the yield, mass and structure of silver patches on colloidal silica using multiwavelength analytical ultracentrifugation. Journal of Colloid and Interface Science 2022, 607, 698-710 (Project A03, C04, D05).
  • J. Semmler and M. Stingl, On the efficient optimization of optical properties of particulate monolayers by a hybrid finite element approach. Structural and Multidisciplinary Optimization 2021, 63 (3), 1219-1242 (Project D05).
  • L. Pflug, N. Bernhardt, M. Grieshammer and M. Stingl, CSG: A new stochastic gradient method for the efficient solution of structural optimization problems with infinitely many states. Structural and Multidisciplinary Optimization 2020, 61 (6), 2595-2611 (Project D05).

Principal investigator:

Prof. Dr. Frauke Liers
Department of Data Science – Optimization under Uncertainty & Data Analysis (external link)

Researchers:

Jana Dienstbier (M. Sc.), Rolfes, Jan

Project summary:

The objective is the development, algorithmic design, implementation and validation of robust mathematical optimization methods for protecting the design of particulate products against uncertainties. Global solution methods will be investigated for optimal robust chromatography as well as synthesis processes, developing methods based on reformulation and decomposition. The obtained results will be validated with the projects. Information on which uncertainties are most relevant and should be reduced, together with recommendations on robust optimum design and quality control, will be returned to the experimental projects.

Publications:

  • S. Kreuz, B. Apeleo Zubiri, S. Englisch, M. Buwen, S.-G. Kang, R. Ramachandramoorthy, E. Spiecker, F. Liers and J. Rolfes, Improving reconstructions in nanotomography for homogeneous materials via mathematical optimization. Nanoscale Advances 2024, 6 (15), 3934-3947 (Project C01, C05, D06).
  • M. Kuchlbauer, J. Dienstbier, A. Muneer, H. Hedges, M. Stingl, F. Liers and L. Pflug, Quality control in particle precipitation via robust optimization. Computers & Chemical Engineering 2024, 108619 (Project D03, D06).
  • L. Lüer, I. M. Peters, A. S. Smith, E. Dorschky, B. M. Eskofier, F. Liers, J. Franke, M. Sjarov, M. Brossog, D. M. Guldi, A. Maier and C. J. Brabec, A digital twin to overcome long-time challenges in photovoltaics. Joule 2024, 8 (2), 295-311 (Project D01, D06).
  • K.-M. Aigner, A. Bärmann, K. Braun, F. Liers, S. Pokutta, O. Schneider, K. Sharma and S. Tschuppik, Data-Driven Distributionally Robust Optimization over Time. INFORMS Journal on Optimization 2023,  (Project D06).
  • U. Frank, J. Dienstbier, F. Tischer, S. E. Wawra, L. Gromotka, J. Walter, F. Liers and W. Peukert, Multidimensional Fractionation of Particles. Separations 2023, 10 (4), 252 (Project B04, C04, D06).
  • J. Dienstbier, K.-M. Aigner, J. Rolfes, W. Peukert, D. Segets, L. Pflug and F. Liers, Robust optimization in nanoparticle technology: A proof of principle by quantum dot growth in a residence time reactor. Computers & Chemical Engineering 2022, 157, 107618 (Project A01, A02, D03, D06).
  • M. Kuchlbauer, F. Liers and M. Stingl, Outer approximation for mixed-integer nonlinear robust optimization. Journal of Optimization Theory and Applications 2021,  (Project D06).
  • J. Dienstbier, J. Schmölder, R. Burlacu, F. Liers and M. Kaspereit, Global optimization of batch and steady-state recycling chromatography based on the equilibrium model. Computers & Chemical Engineering 2020, 135, 106687 (Project B05, D06).

Central Projects

Principal investigator:

Prof. Robin Klupp Taylor (MEng, DPhil (Oxon))Go to iRTG-ParSciTech section of this website

Project summary:

The iRTG-ParSciTech will provide an organisational framework for doctorates carried out in CRC 1411. It supports the implementation of research projects by means of double supervision, monthly seminars and annual retreats. The qualification concept includes measures which promote technical, organisational and social skills. In particular, interdisciplinarity and internationalisation will be assured through collaborations within the CRC and with guest scientists as well as research stays abroad. Modern methods in particle technology will be taught in dedicated workshops. Finally, the graduate school will, together with other local institutions including the FAU Graduate Center, round off a comprehensive support package for doctoral researchers.

Principal investigators:

Prof. Dr. rer. nat. Michael Stingl
Chair of Applied Mathematics (Continuous Optimization) (external link)

Prof. Dr. rer. nat. habil. Erdmann Spiecker
Institute of Micro- and Nanostructure Research (external link)

Project summary:

The objective is the systematic management of research data generated in the CRC by experiments, measuring processes and simulation. In a first step, an ontology based on process-structure-property relations will be established and metadata will be defined for all relevant objects. Second, a virtual research environment will be developed, enabling internet-based data exchange among projects as well as analysis and visualisation of full process-structure-property chains. Moreover, through the implementation of the project in the Central Institute for Scientific Computing (ZISC), computational science support will be provided, enabling an optimal usage of hardware resources.

Publications:

F. Plass, S. Englisch, B. Apeleo Zubiri, L. Pflug, E. Spiecker, M. Stingl, Using openBIS as virtual research environment: An ELN-LIMS open-source database tool as a framework within the CRC 1411 Design of Particulate Products. Zenodo 2023. DOI: 10.5281/zenodo.7761371

Principal investigator:

Dr Giulia Magnabosco
Interdisciplinary Centre for Functional Particle Systems (external link)

Project summary:

The central goal of the project is to promote science, technology, engineering, and mathematics (STEM) subjects to a young (pre-university) audience. We will design our activities with the focus of having exploratory learning taking a leading role. We will reach out to school-aged children both inside and outside of the school environment and develop an interconnected set of measures adapted to the different situations to effectively attract the interest of children.

Publications:

G. Magnabosco, S. Barbosa, P. Andrade, M. Carneiro and N. Vogel, The “Recipe” for the Perfect Color. Front. Young Minds 2024, 12, 1432589 (Project A05).

Principal investigator:

Prof. Dr. rer. nat. Nicolas Vogel
Institute of Particle Technology (external link)

Project summary:

The objective is the scientific coordination of the CRC as a whole. Thus, it covers all centralised activities including i) administrative management of all central costs, ii) support of young scientists with special focus on gender equality and reconciliation of family and work life, iii) quality control, iv) internationalisation and v) outreach. The Z project it is the central intersection between all involved institutions, i.e. DFG, the central administration of FAU and with the interdisciplinary centres at the university level.