Publications 2024
2024
CENEM – Computational Microscopy Group
CENEM – Electron Microscopy
Bezold A. , Vollhüter J. , Karpstein N. , Lenz M. , Subramanyam AP. , Zenk C. , Hammerschmidt T. , Spiecker E. , Göken M. , Neumeier S. :Segregation-induced strength anomalies in complex single-crystalline superalloys Communications Materials 5 2024 ), Art.Nr.: 8 ISSN: 2662-4443 10.1038/s43246-024-00447-x Carl S. , Will J. , Madubuko N. , Götz A. , Przybilla T. , Wu M. , Raman N. , Wirth J. , Taccardi N. , Apeleo Zubiri B. , Haumann M. , Wasserscheid P. , Spiecker E. :Structural Evolution of GaOx-Shell and Intermetallic Phases in Ga-Pt Supported Catalytically Active Liquid Metal Solutions Journal of Physical Chemistry Letters 2024 ), S. 4711-4720 ISSN: 1948-7185 10.1021/acs.jpclett.3c03494 Chakraborty S. , Wong GKL. , Oda F. , Wachter V. , Kusminskiy SV. , Yokosawa T. , Hübner S. , Apeleo Zubiri B. , Spiecker E. , Distaso M. , Russell PSJ. , Joly N. :Levitating the future: light, magnet, and fiber unite SPIE Photonics Europe (Strasbourg 7. April 2024 - 11. April 2024 )In: Proceedings Volume PC12991, Nanophotonics X 2024 10.1117/12.3014301 Danisman B. , Zhang GR. , Baumunk AF. , Yang J. , Brummel O. , Darge P. , Dworschak D. , Mayrhofer KJ. , Libuda J. , Zhou X. , Wu M. , Spiecker E. , Ledendecker M. , Etzold BJ. :Increasing Activity of Trimetallic Oxygen Reduction PtNiMo/C Catalysts Through Initial Conditioning ChemElectroChem 2024 )ISSN: 2196-0216 10.1002/celc.202400070 Denninger P. , Schweizer P. , Spiecker E. :Characterization of extended defects in 2D materials using aperture-based dark-field STEM in SEM Micron 186 2024 ), Art.Nr.: 103703 ISSN: 0968-4328 10.1016/j.micron.2024.103703 Dierner M. , Will J. , Landes M. , Volland C. , Branscheid R. , Zech T. , Unruh T. , Spiecker E. :Influence of Au alloying on solid state dewetting kinetics and texture evolution of Ag and Ni thin films Surfaces and Interfaces 46 2024 ), S. 104008 ISSN: 2468-0230 10.1016/j.surfin.2024.104008 Gromotka L. , Biegel M. , Damm C. , Traore N. , Drobek D. , Spiecker E. , Peukert W. :Combined continuous nanoparticle synthesis with chromatographic size classification Advanced Powder Technology 35 2024 ), Art.Nr.: 104294 ISSN: 0921-8831 10.1016/j.apt.2023.104294 Groppe P. , Reichstein J. , Carl S. , Cuadrado Collados C. , Niebuur BJ. , Zhang K. , Apeleo Zubiri B. , Libuda J. , Kraus T. , Retzer T. , Thommes M. , Spiecker E. , Wintzheimer S. , Mandel K. :Catalyst Supraparticles: Tuning the Structure of Spray-Dried Pt/SiO2 Supraparticles via Salt-Based Colloidal Manipulation to Control their Catalytic Performance Small 2024 )ISSN: 1613-6829 10.1002/smll.202310813 Götz K. , Prihoda A. , Shen C. , Dierner M. , Dallmann J. , Prusch S. , Zahn D. , Spiecker E. , Unruh T. :Nucleation Behavior of SnS2 on Thiol Functionalized SAMs During Solution-Based Atomic Layer Deposition Advanced Materials Interfaces 11 2024 ), Art.Nr.: 2300990 ISSN: 2196-7350 10.1002/admi.202300990 Harsha S. , Sharma RK. , Dierner M. , Baeumer C. , Makhotkin I. , Mul G. , Ghigna P. , Spiecker E. , Will J. , Altomare M. :Dewetting of Pt Nanoparticles Boosts Electrocatalytic Hydrogen Evolution Due to Electronic Metal-Support Interaction Advanced Functional Materials 2024 )ISSN: 1616-301X 10.1002/adfm.202403628 Hoffmeister D. , Finger S. , Fiedler L. , Ma TC. , Körner A. , Zlatar M. , Fritsch B. , Bodnar KW. , Carl S. , Götz A. , Zubiri BA. , Will J. , Spiecker E. , Cherevko S. , Freiberg A. , Mayrhofer K. , Thiele S. , Hutzler A. , van Pham C. :Photodeposition-Based Synthesis of TiO2@IrOx Core–Shell Catalyst for Proton Exchange Membrane Water Electrolysis with Low Iridium Loading Advanced Science 2024 )ISSN: 2198-3844 10.1002/advs.202402991 Hu H. , Fehn D. , Barr M. , Harreiß C. , Zhao Y. , Meyer K. , Brabec CJ. , Osvet A. , Brabec C. :Enhanced Photostability of Lead Halide Perovskite Nanocrystals with Mn3+ Incorporation ACS Applied Materials and Interfaces 16 2024 ), S. 17946-17953 ISSN: 1944-8244 10.1021/acsami.4c03356 Jimenez Sanchez M. , Carl S. , Taccardi N. , Haumann M. , Apeleo Zubiri B. , Wasserscheid P. , Spiecker E. , Vogel N. , Bachmann J. , Magnabosco G. :Better Together: Synergic Effect of Gallium‐Based Catalyst and Porous Support for Reduction Reactions ChemCatChem 2024 )ISSN: 1867-3880 10.1002/cctc.202401429 Karpstein N. , Lenz M. , Bezold A. , Zehl R. , Wu M. , Ludwig A. , Laplanche G. , Neumeier S. , Spiecker E. :Unambiguous Stacking Fault Analysis for Unraveling Shearing Mechanisms and Shear-Based Transformations in the L12-Ordered γ′ Phase 15th International Symposium on Superalloys, ISS 2024 (Champion, PA, USA 8. September 2024 - 12. September 2024 )In: Jonathan Cormier, Ian Edmonds, Stephane Forsik, Paraskevas Kontis, Corey O’Connell, Timothy Smith, Akane Suzuki, Sammy Tin, Jian Zhang (Hrsg.): Proceedings of the 15th International Symposium on Superalloys 2024 10.1007/978-3-031-63937-1_4 https://link.springer.com/chapter/10.1007/978-3-031-63937-1_4 Karpstein N. , Wu M. , Bezold A. , Neumeier S. , Cormier J. , Spiecker E. :Temperature and Time Dependence of Elemental Segregation at Stacking Faults in Ni- and Co-Base Superalloys 15th International Symposium on Superalloys, ISS 2024 (Champion, PA, USA 8. September 2024 - 12. September 2024 )In: Jonathan Cormier, Ian Edmonds, Stephane Forsik, Paraskevas Kontis, Corey O’Connell, Timothy Smith, Akane Suzuki, Sammy Tin, Jian Zhang (Hrsg.): Minerals, Metals and Materials Series 2024 10.1007/978-3-031-63937-1_47 Kreuz S. , Apeleo Zubiri B. , Englisch S. , Buwen M. , Kang SG. , Ramachandramoorthy R. , Spiecker E. , Liers F. , Rolfes J. :Improving reconstructions in nanotomography for homogeneous materials via mathematical optimization Nanoscale Advances 2024 )ISSN: 2516-0230 10.1039/d3na01089a Luo J. , Liu B. , Yin H. , Zhou X. , Wu M. , Shi H. , Zhang J. , Elia J. , Zhang K. , Wu J. , Xie Z. , Liu C. , Yuan J. , Wan Z. , Heumüller T. , Lüer L. , Spiecker E. , Li N. , Jia C. , Brabec C. , Zhao Y. :Correction to: Polymer-acid-metal quasi-ohmic contact for stable perovskite solar cells beyond a 20,000-hour extrapolated lifetime (Nature Communications, (2024), 15, 1, (2002), 10.1038/s41467-024-46145-7) Nature Communications 15 2024 ), Art.Nr.: 2314 ISSN: 2041-1723 10.1038/s41467-024-46688-9 Luo J. , Liu B. , Yin H. , Zhou X. , Wu M. , Shi H. , Zhang J. , Elia J. , Zhang K. , Wu J. , Xie Z. , Liu C. , Yuan J. , Wan Z. , Heumüller T. , Lüer L. , Spiecker E. , Li N. , Jia C. , Brabec C. , Zhao Y. :Polymer-acid-metal quasi-ohmic contact for stable perovskite solar cells beyond a 20,000-hour extrapolated lifetime Nature Communications 15 2024 ), Art.Nr.: 2002 ISSN: 2041-1723 10.1038/s41467-024-46145-7 Madubuko N. , Sultan U. , Carl S. , Lehmann D. , Zhou X. , Soegaard A. , Taccardi N. , Apeleo Zubiri B. , Wintzheimer S. , Spiecker E. , Haumann M. , Vogel N. , Wasserscheid P. :Controlled Nanopore Sizes in Supraparticle Supports for Enhanced Propane Dehydrogenation with GaPt SCALMS Catalysts ACS Applied Nano Materials 7 2024 ), S. 24356-24367 ISSN: 2574-0970 10.1021/acsanm.4c03577 Seifert J. , Nees N. , Khan H. , Traore N. , Drobek D. , Peukert W. , Apeleo Zubiri B. , Spiecker E. , Stingl M. , Pflug L. , Klupp Taylor R. :Continuous Flow Synthesis and Simulation-Supported Investigation of Tunable Plasmonic Gold Patchy Nanoparticles Nanoscale 2024 )ISSN: 2040-3364 10.1039/D4NR02516D https://pubs.rsc.org/en/content/articlelanding/2024/nr/d4nr02516d Traore N. , Berthold M. , Hartmann L. , Schmul P. , Apeleo Zubiri B. , Spiecker E. , Peukert W. :Tailoring the Reaction Pathway for Control of Size and Composition of Silver-Gold Alloy Nanoparticles Journal of Physical Chemistry C 2024 )ISSN: 1932-7447 10.1021/acs.jpcc.4c00321 https://pubs.acs.org/doi/10.1021/acs.jpcc.4c00321 Vorlaufer N. , Josten J. , Carl S. , Göbel E. , Soegaard A. , Taccardi N. , Spiecker E. , Felfer P. :Preparation of atom probe tips from (nano)particles in dispersion using (di)electrophoresis and electroplating Microscopy Research and Technique 87 2024 ), S. 476-483 ISSN: 1059-910X 10.1002/jemt.24448 Wang Z. , Wegner KD. , Stiegler L. , Zhou X. , Rezvani A. , Odungat AS. , Apeleo Zubiri B. , Wu M. , Spiecker E. , Walter J. , Resch-Genger U. , Segets D. :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 )ISSN: 2574-0970 10.1021/acsanm.4c05265 Yadav S. , Birajdar BI. , Kraschewski S. , Apeleo Zubiri B. , Antesberger T. , Stutzmann M. , Spiecker E. :Silver-induced layer exchange and crystallization of a-Si films investigated using in situ scanning transmission electron microscopy Journal of Applied Physics 136 2024 ), Art.Nr.: 085301 ISSN: 0021-8979 10.1063/5.0218143 You S. , Romanov A. , Pelz P. :Near-isotropic sub-Ångstrom 3d resolution phase contrast imaging achieved by end-to-end ptychographic electron tomography Physica Scripta 100 2024 ), S. 015404 ISSN: 0031-8949 10.1088/1402-4896/ad9a1a Zhou X. , Wang Y. , Denisov N. , Kim H. , Kim JH. , Will J. , Spiecker E. , Vaskevich A. , Schmuki P. :Pt Single Atoms Loaded on Thin-Layer TiO2 Electrodes: Electrochemical and Photocatalytic Features Small 2024 )ISSN: 1613-6829 10.1002/smll.202404064
CENEM – Nanocharacterization
Dallmann J. , Graetz J. , Hock R. :Universal simulation of absorption effects for X-ray diffraction in reflection geometry Acta Crystallographica Section A : Foundations and Advances 80 2024 ), S. 315-328 ISSN: 0108-7673 10.1107/S2053273324003292 Dierner M. , Will J. , Landes M. , Volland C. , Branscheid R. , Zech T. , Unruh T. , Spiecker E. :Influence of Au alloying on solid state dewetting kinetics and texture evolution of Ag and Ni thin films Surfaces and Interfaces 46 2024 ), S. 104008 ISSN: 2468-0230 10.1016/j.surfin.2024.104008 Götz K. , Prihoda A. , Shen C. , Dierner M. , Dallmann J. , Prusch S. , Zahn D. , Spiecker E. , Unruh T. :Nucleation Behavior of SnS2 on Thiol Functionalized SAMs During Solution-Based Atomic Layer Deposition Advanced Materials Interfaces 11 2024 ), Art.Nr.: 2300990 ISSN: 2196-7350 10.1002/admi.202300990 Li C. , Park H. , Qiu S. , Streller F. , Zhang K. , Peng Z. , Byun J. , Tian J. , Maiti S. , Xie Z. , Dong L. , Liu C. , Le Corre VM. , Shang Y. , Wu J. , Zhang J. , Feng M. , Späth A. , Forberich K. , Osvet A. , Heumüller T. , Christiansen SH. , Halik M. , Fink R. , Unruh T. , Li N. , Lüer L. , Brabec C. :Controlling Intermediate Phase Formation to Enhance Photovoltaic Performance of Inverted FA-Based Perovskite Solar Cells ACS Energy Letters 9 2024 ), S. 5434-5443 ISSN: 2380-8195 10.1021/acsenergylett.4c02580 Li C. , Zhang K. , Maiti S. , Peng Z. , Tian J. , Park H. , Byun J. , Xie Z. , Dong L. , Qiu S. , Bornschlegl A. , Liu C. , Zhang J. , Osvet A. , Heumüller T. , Christiansen SH. , Halik M. , Unruh T. , Li N. , Lüer L. , Brabec C. :Tailoring the Dimensionality of 2D/3D Heterojunctions for Inverted Perovskite Solar Cells ACS Energy Letters 9 2024 ), S. 779-788 ISSN: 2380-8195 10.1021/acsenergylett.4c00045 Maiti S. , Senavirathna LN. , Minguez Bacho I. , Menath J. , Gruber W. , Vogel N. , Bachmann J. , Unruh T. :Highly Ordered Monolayers of μm-Sized Polystyrene Spheres Studied by Grazing-Incidence Small-Angle X-ray Scattering, Simulations, and Geometrical Calculations Langmuir 40 2024 ), S. 1185-1194 ISSN: 0743-7463 10.1021/acs.langmuir.3c02219 Shahzad A. , Yang F. , Steffen J. , Neiß C. , Panchenko A. , Götz K. , Vogel C. , Weißer M. , Embs JP. , Petry W. , Lohstroh W. , Görling A. , Goychuk I. , Unruh T. :Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations Journal of Physics: Condensed Matter 36 2024 ), Art.Nr.: 175403 ISSN: 0953-8984 10.1088/1361-648X/ad1e9f Unruh T. , Götz K. , Vogel C. , Fröhlich E. , Scheurer A. , Porcar L. , Steiniger F. :Mesoscopic Structure of Lipid Nanoparticle Formulations for mRNA Drug Delivery: Comirnaty and Drug-Free Dispersions ACS nano 18 2024 ), S. 9746-9764 ISSN: 1936-0851 10.1021/acsnano.4c02610 Zhou S. , Rehm V. , Afify HA. , Feng Y. , Korczak J. , Szczerbakow A. , Story T. , Peng Z. , These A. , Barabash A. , Osvet A. , Brabec C. , Götz K. , Unruh T. , Hilpert F. , Brummel O. , Libuda J. , Heiß W. :Squeezing the Threshold of Metal-Halide Perovskite Micro-Crystal Lasers Grown by Solution Epitaxy Advanced Functional Materials 2024 )ISSN: 1616-301X 10.1002/adfm.202404700
Chemistry of thin film materials
Borne KD. , Cooper JC. , Ashfold MNR. , Bachmann J. , Bhattacharyya S. , Boll R. , Bonanomi M. , Bosch M. , Callegari C. , Centurion M. , Coreno M. , Curchod BFE. , Danailov MB. , Demidovich A. , Di Fraia M. , Erk B. , Faccialà D. , Feifel R. , Forbes RJG. , Hansen CS. , Holland DMP. , Ingle RA. , Lindh R. , Ma L. , McGhee HG. , Bhavya Muvva S. , Figueira Nunes JP. , Odate A. , Pathak S. , Plekan O. , Prince KC. , Rebernik P. , Rouzée A. , Rudenko A. , Simoncig A. , Squibb RJ. , Venkatachalam AS. , Vozzi C. , Weber PM. , Kirrander A. , Rolles D. :Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane Nature Chemistry 2024 )ISSN: 1755-4330 10.1038/s41557-023-01420-w C Antunes G. , Jimenez Sanchez M. , Malgaretti P. , Bachmann J. , Harting J. :The interplay of shape and catalyst distribution in the yield of compressible flow microreactors Journal of Chemical Physics 161 2024 )ISSN: 0021-9606 10.1063/5.0231360 Cooper JC. , Holland DMP. , Ingle RA. , Bonanomi M. , Faccialà D. , De Oliveira N. , Abid AR. , Bachmann J. , Bhattacharyya S. , Borne KD. , Bosch M. , Centurion M. , Chen K. , Forbes RJG. , Lam HVS. , Odate A. , Rudenko A. , Venkatachalam AS. , Vozzi C. , Wang E. , Weber PM. , Ashfold MNR. , Kirrander A. , Rolles D. :Valence shell electronically excited states of norbornadiene and quadricyclane Journal of Chemical Physics 160 2024 )ISSN: 0021-9606 10.1063/5.0187707 Crisp R. , Singh S. :Insights into the Illuminating World of Nanocrystalline Materials: Structure–Property Relationships in Precise Nanocrystals to Ensembles Crystal Growth and Design 2024 )ISSN: 1528-7483 10.1021/acs.cgd.4c01098 Dehm K. , Zanetti A. , Fett B. , Mauritz V. , Hamburger RC. , Langford D. , Guldi DM. , Young ER. , Mandel K. , Crisp R. :Alteration of the Optoelectronic Properties of CuInS2 Quantum Dots via Colloidal Annealing Crystal Growth and Design 2024 )ISSN: 1528-7483 10.1021/acs.cgd.4c00150 Gahramanli LR. , Bellucci S. , Muradov MB. , Pietra ML. , Eyvazova GM. , Gomez CV. , Bachmann J. :Synthesis and physical characterization of novel Ag2S-CdS/Ag/GNP ternary nanocomposite Chalcogenide Letters 21 2024 ), S. 513-527 ISSN: 1584-8663 10.15251/CL.2024.217.513 Hu H. , Fehn D. , Barr M. , Harreiß C. , Zhao Y. , Meyer K. , Brabec CJ. , Osvet A. , Brabec C. :Enhanced Photostability of Lead Halide Perovskite Nanocrystals with Mn3+ Incorporation ACS Applied Materials and Interfaces 16 2024 ), S. 17946-17953 ISSN: 1944-8244 10.1021/acsami.4c03356 Jimenez Sanchez M. , Carl S. , Taccardi N. , Haumann M. , Apeleo Zubiri B. , Wasserscheid P. , Spiecker E. , Vogel N. , Bachmann J. , Magnabosco G. :Better Together: Synergic Effect of Gallium‐Based Catalyst and Porous Support for Reduction Reactions ChemCatChem 2024 )ISSN: 1867-3880 10.1002/cctc.202401429 Jiménez Calvo P. :Synergy of visible-light responsive photocatalytic materials and device engineering for energy and environment: Minireview on hydrogen production and water decontamination Materials Today Catalysis 4 2024 ), S. 100040 ISSN: 2949-754X 10.1016/j.mtcata.2024.100040 Jiménez Calvo P. , Savateev O. , Villa K. , Muñoz-Batista MJ. , Domen K. :Toward Renewable Solar Energy Systems: Advances in Photocatalytic Green Hydrogen Production Global Challenges 2024 )ISSN: 2056-6646 10.1002/gch2.202400122 Kern S. , Yi G. , Büttner P. , Scheler F. , Tran MH. , Korenko S. , Dehm K. , Kundrata I. , Zahl A. , Albrecht S. , Bachmann J. , Crisp R. :Monolithic Two-Terminal Tandem Solar Cells Using Sb2S3 and Solution-Processed PbS Quantum Dots Achieving an Open-Circuit Potential beyond 1.1 V ACS Applied Materials and Interfaces 16 2024 ), S. 13903-13913 ISSN: 1944-8244 10.1021/acsami.3c16154 Kormanyos A. , Büttner P. , Bosch M. , Minichova M. , Körner A. , Jenewein KJ. , Hutzler A. , Mayrhofer KJ. , Bachmann J. , Cherevko S. :Stability of Bimetallic PtxRuy - From Model Surfaces to Nanoparticulate Electrocatalysts ACS Materials Au 4 2024 ), S. 286-299 ISSN: 2694-2461 10.1021/acsmaterialsau.3c00092 Kovács M. , Fritsch B. , Lahn L. , Bachmann J. , Kasian O. , Mayrhofer K. , Hutzler A. , Dworschak D. :Electrospun Iridium-Based Nanofiber Catalysts for Oxygen Evolution Reaction: Influence of Calcination on Activity-Stability Relation ACS Applied Materials and Interfaces 16 2024 ), S. 52179-52190 ISSN: 1944-8244 10.1021/acsami.4c07831 Lipińska W. , Grochowska K. , Ryl J. , Karczewski J. , Sawczak M. , Coy E. , Mauritz V. , Crisp R. , Siuzdak K. :Coupling between the photoactivity and CO2 adsorption on rapidly thermal hydrogenated vs. conventionally annealed copper oxides deposited on TiO2 nanotubes Journal of Materials Science 59 2024 ), S. 16947-16962 ISSN: 0022-2461 10.1007/s10853-024-10223-4 Lipińska W. , Wolff S. , Dehm K. , Hager S. , Gumieniak J. , Kramek A. , Crisp R. , Coy E. , Grochowska K. , Siuzdak K. :Transparent TiO2 nanotubes supporting silver sulfide for photoelectrochemical water splitting Nanoscale 2024 )ISSN: 2040-3364 10.1039/d4nr01440e Maiti S. , Senavirathna LN. , Minguez Bacho I. , Menath J. , Gruber W. , Vogel N. , Bachmann J. , Unruh T. :Highly Ordered Monolayers of μm-Sized Polystyrene Spheres Studied by Grazing-Incidence Small-Angle X-ray Scattering, Simulations, and Geometrical Calculations Langmuir 40 2024 ), S. 1185-1194 ISSN: 0743-7463 10.1021/acs.langmuir.3c02219 Mauritz V. , Crisp R. :Unravelling the intricacies of solvents and sulfur sources in colloidal synthesis of metal sulfide semiconductor nanocrystals Journal of Materials Chemistry C 12 2024 ), S. 11319-11334 ISSN: 2050-7526 10.1039/D4TC01414F Sánchez Batalla B. , Bachmann J. , Weidlich C. :Investigation of the degradation of proton exchange membrane water electrolysis cells using electrochemical impedance spectroscopy with distribution of relaxation times analysis Electrochimica Acta 473 2024 ), Art.Nr.: 143492 ISSN: 0013-4686 10.1016/j.electacta.2023.143492 Sánchez Batalla B. , Laube A. , Struckmann T. , Hofer A. , Zallmann S. , Körner C. , Fischer S. , Burek BO. , Bachmann J. , Weidlich C. :A Mild Method for the Activation of Cation Exchange Membranes Used in Tubular PEM Electrolyzers ChemPlusChem 89 2024 ), Art.Nr.: e202300735 ISSN: 2192-6506 10.1002/cplu.202300735 Zhang K. , Liu C. , Peng Z. , Li C. , Tian J. , Li C. , García Cerrillo J. , Dong L. , Streller F. , Späth A. , Musiienko A. , Englhard J. , Li N. , Zhang J. , Du T. , Sathasivam S. , Macdonald TJ. , These A. , Le Corre VM. , Forberich K. , Meng W. , Fink R. , Osvet A. , Lüer L. , Bachmann J. , Tong J. , Brabec C. :Binary cations minimize energy loss in the wide-band-gap perovskite toward efficient all-perovskite tandem solar cells Joule 2024 )ISSN: 2542-4351 10.1016/j.joule.2024.07.003
Data-based Materials Design
Bauer S. , Benner P. , Bereau T. , Blum V. , Boley M. , Carbogno C. , Catlow CA. , Dehm G. , Eibl S. , Ernstorfer R. , Fekete Á. , Foppa L. , Fratzl P. , Freysoldt C. , Gault B. , Ghiringhelli LM. , Giri SK. , Gladyshev A. , Goyal P. , Hattrick-Simpers J. , Kabalan L. , Karpov P. , Khorrami MS. , Koch CT. , Kokott S. , Kosch T. , Kowalec I. , Kremer K. , Leitherer A. , Li Y. , Liebscher CH. , Logsdail AJ. , Lu Z. , Luong F. , Marek A. , Merz F. , Mianroodi JR. , Neugebauer J. , Pei Z. , Purcell TA. , Raabe D. , Rampp M. , Rossi M. , Rost JM. , Saal J. , Saalmann U. , Sasidhar KN. , Saxena A. , Sbailò L. , Scheidgen M. , Schloz M. , Schmidt DF. , Teshuva S. , Trunschke A. , Wei Y. , Weikum G. , Xian RP. , Yao Y. , Yin J. , Zhao M. , Scheffler M. :Roadmap on data-centric materials science Modelling and Simulation in Materials Science and Engineering 32 2024 ), Art.Nr.: 063301 ISSN: 0965-0393 10.1088/1361-651X/ad4d0d Ruiz-Garcia M. , Barriuso CMG. , Alexander LC. , Aarts DG. , Ghiringhelli LM. , Valeriani C. :Discovering dynamic laws from observations: The case of self-propelled, interacting colloids Physical Review E 109 2024 ), Art.Nr.: 064611 ISSN: 1063-651X 10.1103/PhysRevE.109.064611 Speckhard D. , Bechtel T. , Ghiringhelli L. , Kuban M. , Rigamonti S. , Draxl C. :How big is big data? Faraday Discussions 2024 )ISSN: 1364-5498 10.1039/d4fd00102h
Institute for Multiscale Simulation
Ameen AA. , Sack A. , Pöschel T. :TSS-ConvNet for electrical impedance tomography image reconstruction Physiological Measurement 45 2024 ), Art.Nr.: 045006 ISSN: 0967-3334 10.1088/1361-6579/ad39c2 Bagheri M. , Roy S. , Pöschel T. :Approximate expressions for the capillary force and the surface area of a liquid bridge between identical spheres Computational Particle Mechanics 2024 )ISSN: 2196-4378 10.1007/s40571-024-00772-5 Blank M. , Nair P. , Pöschel T. :Surface tension and wetting at free surfaces in smoothed particle hydrodynamics Journal of Fluid Mechanics 987 2024 ), Art.Nr.: A23 ISSN: 0022-1120 10.1017/jfm.2024.410 Blank M. , Pöschel T. :Temperature Gradients as a Source of Balling and Humping in Laser Processing of Titanium 10.1007/978-3-031-32927-2_15 Buchele F. , Blank M. , Pöschel T. , Müller P. :Model geometries of random porous materials International Journal of Heat and Mass Transfer 234 2024 ), Art.Nr.: 126074 ISSN: 0017-9310 10.1016/j.ijheatmasstransfer.2024.126074 Cavalli S. , Alves RF. , Lange Bassani C. , Marcelino Neto MA. , Sum AK. , Morales RE. :Modulation of slug flow characteristics observed in three-phase solid-liquid-gas flow measurements Chemical Engineering Science 300 2024 ), Art.Nr.: 120596 ISSN: 0009-2509 10.1016/j.ces.2024.120596 Dosta M. , André D. , Angelidakis V. , Caulk R. , Celigueta MÁ. , Chareyre B. , Dietiker JF. , Girardot J. , Govender N. , Hubert C. , Kobyłka R. , Moura AF. , Skorych V. , Weatherley DK. , Weinhart T. :Comparing open-source DEM frameworks for simulations of common bulk processes Computer Physics Communications 296 2024 ), Art.Nr.: 109066 ISSN: 0010-4655 10.1016/j.cpc.2023.109066 https://www.sciencedirect.com/science/article/pii/S0010465523004113 Enriquez Florat A. , Sack A. , D'Angelo O. :Acoustically propelled winged macroparticles Journal of Applied Physics 136 2024 ), Art.Nr.: 194901 ISSN: 0021-8979 10.1063/5.0227364 Götz H. , Pöschel T. , D'Angelo O. :Structural features of jammed-granulate 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A. , Aghaei F. , Rahbari SH. , Reza Rahimi Tabar M. , Pöschel T. :Non-monotonic dynamic correlation explored via active microrheology Journal of Statistical Mechanics-Theory and Experiment 2024 2024 ), Art.Nr.: 103205 ISSN: 1742-5468 10.1088/1742-5468/ad8222 Müller P. , Sack A. , Dümler J. , Heckel M. , Wenzel T. , Siegert T. , Schuldt-Lieb S. , Gieseler H. , Pöschel T. :Automated Tomographic Assessment of Structural Defects of Freeze-Dried Pharmaceuticals Aaps Pharmscitech 25 2024 ), Art.Nr.: 143 ISSN: 1530-9932 10.1208/s12249-024-02833-7 Ostanin I. , Angelidakis V. , Plath T. , Pourandi S. , Thornton A. , Weinhart T. :Rigid clumps in the MercuryDPM particle dynamics code Computer Physics Communications 296 2024 ), Art.Nr.: 109034 ISSN: 0010-4655 10.1016/j.cpc.2023.109034 Roy S. , Pöschel T. :Shape effects in binary mixtures of PA12 powder in additive manufacturing Powder Technology 448 2024 ), Art.Nr.: 120326 ISSN: 0032-5910 10.1016/j.powtec.2024.120326 Roy S. , Weinhart T. :The role of granular matter in additive manufacturing Granular Matter 26 2024 )ISSN: 1434-7636 10.1007/s10035-024-01473-9 Roy S. , Xiao H. , Angelidakis V. , Pöschel T. :Combined thermal and particle shape effects on powder spreading in additive manufacturing via discrete element simulations Powder Technology 445 2024 ), Art.Nr.: 120099 ISSN: 0032-5910 10.1016/j.powtec.2024.120099 Roy S. , Xiao H. , Angelidakis V. , Pöschel T. :Structural fluctuations in thin cohesive particle layers in powder-based additive manufacturing Granular Matter 26 2024 ), Art.Nr.: 43 ISSN: 1434-5021 10.1007/s10035-024-01410-w Roy S. , Xiao H. , Shaheen MY. , Pöschel T. :Local Structural Anisotropy in Particle Simulations of Powder Spreading in Additive Manufacturing 10.1007/978-3-031-32927-2_13 Santarossa A. , Pöschel T. :Enhanced interlocking in granular jamming grippers through hard and soft particle mixtures Granular Matter 26 2024 ), Art.Nr.: 105 ISSN: 1434-7636 10.1007/s10035-024-01475-7 Shi C. , Cheng Z. , Leonardi A. , Yang Y. , Engel M. , Jones MR. , Han Y. :Preserving surface strain in nanocatalysts via morphology control Science Advances 10 2024 ), S. eadp3788- ISSN: 2375-2548 10.1126/sciadv.adp3788 Singh AP. , Angelidakis V. , Pöschel T. , Roy S. :Shear zones in granular mixtures of hard and soft particles with high and low friction Soft Matter 2024 )ISSN: 1744-683X 10.1039/d4sm00100a Tomazic F. , Muttathukattil A. , Nabiyan A. , Schacher F. , Engel M. :Geometric Frustration Directs the Self-assembly of Nanoparticles with Crystallized Ligand Bundles Journal of Physical Chemistry B 2024 )ISSN: 1520-6106 10.1021/acs.jpcb.4c04562 Varela Rosales NR. , Engel M. :Tuning the stability of a model quasicrystal and its approximants with a periodic substrate Soft Matter 2024 )ISSN: 1744-683X 10.1039/d4sm00191e del Valle CA. , Angelidakis V. , Roy S. , Muñoz JD. , Pöschel T. :SPIRAL: An efficient algorithm for the integration of the equation of rotational motion Computer Physics Communications 297 2024 ), Art.Nr.: 109077 ISSN: 0010-4655 10.1016/j.cpc.2023.109077 https://www.sciencedirect.com/science/article/pii/S0010465523004228
OICE – Optical Imaging Centre Erlangen
Guzman J. , Weigelt K. , Neumann AD. , Tripal P. , Schmid B. , Winter Z. , Palmisano R. , Culig Z. , Cronauer MV. , Muschler P. , Wullich B. , Taubert H. , Wach S. :NanoLuc Binary Technology as a methodological approach: an important new tool for studying the localization of androgen receptor and androgen receptor splice variant V7 homo and heterodimers BMC Cancer 24 2024 ), Art.Nr.: 346 ISSN: 1471-2407 10.1186/s12885-024-12110-2 Keckstein P. , Dittrich R. , Bleisinger N. , Hoffmann I. , Beckmann M. , Gebhardt A. , Schmid B. , Keckstein S. :Survival and hormone production of isolated mouse follicles in three-dimensional artificial scaffolds after stimulation with bpV(HOpic) Archives of Gynecology and Obstetrics 2024 )ISSN: 0932-0067 10.1007/s00404-024-07419-z
Organic Materials & Devices
Artusio F. , Müller L. , Razza N. , Cordeiro Filipe I. , Olgiati F. , Richter Ł. , Civera E. , Özkan M. , Gasbarri M. , Rinaldi L. , Wang H. , Garcìa E. , Schafer J. , Michot L. , Butot S. , Baert L. , Zuber S. , Halik M. , Stellacci F. :Broad-Spectrum Supramolecularly Reloadable Antimicrobial Coatings ACS Applied Materials and Interfaces 16 2024 ), S. 29867-29875 ISSN: 1944-8244 10.1021/acsami.4c04705 Bashirova N. , Butenschön E. , Poppitz D. , Gaß H. , Halik M. , Dentel D. , Tegenkamp C. , Matysik J. , Alia A. :Magnetic Resonance Imaging-Based Monitoring of the Accumulation of Polyethylene Terephthalate Nanoplastics Molecules 29 2024 ), Art.Nr.: 4380 ISSN: 1420-3049 10.3390/molecules29184380 Li C. , Park H. , Qiu S. , Streller F. , Zhang K. , Peng Z. , Byun J. , Tian J. , Maiti S. , Xie Z. , Dong L. , Liu C. , Le Corre VM. , Shang Y. , Wu J. , Zhang J. , Feng M. , Späth A. , Forberich K. , Osvet A. , Heumüller T. , Christiansen SH. , Halik M. , Fink R. , Unruh T. , Li N. , Lüer L. , Brabec C. :Controlling Intermediate Phase Formation to Enhance Photovoltaic Performance of Inverted FA-Based Perovskite Solar Cells ACS Energy Letters 9 2024 ), S. 5434-5443 ISSN: 2380-8195 10.1021/acsenergylett.4c02580 Li C. , Zhang K. , Maiti S. , Peng Z. , Tian J. , Park H. , Byun J. , Xie Z. , Dong L. , Qiu S. , Bornschlegl A. , Liu C. , Zhang J. , Osvet A. , Heumüller T. , Christiansen SH. , Halik M. , Unruh T. , Li N. , Lüer L. , Brabec C. :Tailoring the Dimensionality of 2D/3D Heterojunctions for Inverted Perovskite Solar Cells ACS Energy Letters 9 2024 ), S. 779-788 ISSN: 2380-8195 10.1021/acsenergylett.4c00045 Park H. , Jong Yoo H. , Park C. :Wear and corrosion behaviors of high-power laser surface-cleaned 304L stainless steel Optics and Laser Technology 168 2024 ), Art.Nr.: 109640 ISSN: 0030-3992 10.1016/j.optlastec.2023.109640 Vivod D. , Voß J. , Halik M. , Zahn D. :Tailoring the Wetting Behavior of Self-Assembled Monolayers by Surface Charge Journal of Physical Chemistry C 2024 )ISSN: 1932-7447 10.1021/acs.jpcc.4c01415 Zimmermann T. , Stauch C. , Bittel L. , Jüngling N. , Muhamettursun M. , Halik M. , Niessner J. , Wintzheimer S. , Lyons A. , Löbmann P. , Mandel K. :Sol-gel coatings for solar cover glass: Influence of surface structure on dust accumulation and removal Solar Energy 267 2024 ), Art.Nr.: 112246 ISSN: 0038-092X 10.1016/j.solener.2023.112246
Photonic Crystal Fibres
Chakraborty S. , Wong GKL. , Oda F. , Wachter V. , Kusminskiy SV. , Yokosawa T. , Hübner S. , Apeleo Zubiri B. , Spiecker E. , Distaso M. , Russell PSJ. , Joly N. :Levitating the future: light, magnet, and fiber unite SPIE Photonics Europe (Strasbourg 7. April 2024 - 11. April 2024 )In: Proceedings Volume PC12991, Nanophotonics X 2024 10.1117/12.3014301
Physics Underlying Life Sciences
Collados CC. , Huber C. , Söllner J. , Grass JP. , Inayat A. , Durdyyev R. , Smith AS. , Wisser D. , Hartmann M. , Thommes M. :Assessment of Hydrophilicity/Hydrophobicity in Mesoporous Silica by Combining Adsorption, Liquid Intrusion, and Solid-State NMR Spectroscopy Langmuir 2024 )ISSN: 0743-7463 10.1021/acs.langmuir.3c03516 Hantal G. , Bánovská S. , Varga L. , Fábián B. , Mihály J. , Jedlovszky P. :Can the anaesthetic induced liquid-to-gel phase transition temperature depression be behind the molecular mechanism of general anaesthesia? Journal of Molecular Liquids 414 2024 ), Art.Nr.: 126122 ISSN: 0167-7322 10.1016/j.molliq.2024.126122 Höllring K. , Baer A. , Vučemilović-Alagić N. , Smith DM. , Smith AS. :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 657 2024 ), S. 272-289 ISSN: 0021-9797 10.1016/j.jcis.2023.11.137 Höllring K. , Nuić L. , Rogić L. , Kaliman S. , Gehrer S. , Wollnik C. , Rehfeldt F. , Hubert M. , Smith AS. :Capturing the mechanosensitivity of cell proliferation in models of epithelium Proceedings of the National Academy of Sciences of the United States of America 121 2024 ), Art.Nr.: e2308126121 ISSN: 0027-8424 10.1073/pnas.2308126121 Lüer L. , Peters IM. , Smith AS. , Dorschky E. , Eskofier B. , Liers-Bergmann F. , Franke J. , Sjarov M. , Brossog M. , Guldi DM. , Maier A. , Brabec C. :A digital twin to overcome long-time challenges in photovoltaics Joule 8 2024 ), S. 1-17 ISSN: 2542-4351 10.1016/j.joule.2023.12.010 Ma Y. , Li L. , Smith AS. :Substrate topography regulating membrane adhesion mediated by receptor-ligand bonds Applied Physics Letters 125 2024 ), Art.Nr.: 153701 ISSN: 0003-6951 10.1063/5.0224078 Tóth Ugyonka H. , Hantal G. , Szilágyi I. , Idrissi A. , Jorge M. , Jedlovszky P. :Spatial organization of the ions at the free surface of imidazolium-based ionic liquids Journal of Colloid and Interface Science 676 2024 ), S. 989-1000 ISSN: 0021-9797 10.1016/j.jcis.2024.07.041 Zhai Z. , Hantal G. , Cherian A. , Bergen A. , Chu J. , Wick C. , Meyer K. , Smith AS. , Koller TM. :Influence of molecular hydrogen on bulk and interfacial properties of three imidazolium-based ionic liquids by experiments and molecular dynamics simulations International Journal of Hydrogen Energy 72 2024 ), S. 1091-1104 ISSN: 0360-3199 10.1016/j.ijhydene.2024.05.249
Self-Organization Processes
Cavalli S. , Alves RF. , Lange Bassani C. , Marcelino Neto MA. , Sum AK. , Morales RE. :Modulation of slug flow characteristics observed in three-phase solid-liquid-gas flow measurements Chemical Engineering Science 300 2024 ), Art.Nr.: 120596 ISSN: 0009-2509 10.1016/j.ces.2024.120596 Lange Bassani C. , Engel M. , Sum AK. :Mesomorphology of clathrate hydrates from molecular ordering Journal of Chemical Physics 160 2024 ), Art.Nr.: 190901 ISSN: 0021-9606 10.1063/5.0200516 Lange Bassani C. , van Anders G. , Banin U. , Baranov D. , Chen Q. , Dijkstra M. , Dimitriyev MS. , Efrati E. , Faraudo J. , Gang O. , Gaston N. , Golestanian R. , Guerrero-Garcia GI. , Gruenwald M. , Haji-Akbari A. , Ibáñez M. , Karg M. , Kraus T. , Lee B. , Van Lehn RC. , Macfarlane RJ. , Mognetti BM. , Nikoubashman A. , Osat S. , Prezhdo OV. , Rotskoff GM. , Saiz L. , Shi AC. , Skrabalak S. , Smalyukh II. , Tagliazucchi M. , Talapin DV. , Tkachenko AV. , Tretiak S. , Vaknin D. , Widmer-Cooper A. , Wong GC. , Ye X. , Zhou S. , Rabani E. , Engel M. , Travesset A. :Nanocrystal Assemblies: Current Advances and Open Problems ACS nano 2024 )ISSN: 1936-0851 10.1021/acsnano.3c10201 Tomazic F. , Muttathukattil A. , Nabiyan A. , Schacher F. , Engel M. :Geometric Frustration Directs the Self-assembly of Nanoparticles with Crystallized Ligand Bundles Journal of Physical Chemistry B 2024 )ISSN: 1520-6106 10.1021/acs.jpcb.4c04562 Varela Rosales NR. , Engel M. :Tuning the stability of a model quasicrystal and its approximants with a periodic substrate Soft Matter 2024 )ISSN: 1744-683X 10.1039/d4sm00191e