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The Fermi energy as common parameter to describe charge compensation mechanisms: A path to Fermi level engineering of oxide electroceramics2023 Journal of Electroceramics article Materials Science Dielectric properties of ceramics Open access
Andreas Klein, Karsten Albe, Nicole Bein, Oliver Clemens, Kim Alexander Creutz, Paul Erhart, +18 more
68citations -
Behavior of cation vacancies in single-crystal and in thin-film SrTiO3 : The importance of strontium vacancies and their defect associates2020 Physical Review Materials article Materials Science Electronic and Structural Properties of Oxides
Ute N. Gries, Markus Kessel, Felix V. E. Hensling, Regina Dittmann, Manfred Martin, Roger A. De Souza
19citations -
Oxygen Diffusion in Platinum Electrodes: A Molecular Dynamics Study of the Role of Extended Defects2021 Advanced Materials Interfaces article Engineering Advanced Memory and Neural Computing Open access
Alexander F. Zurhelle, Wilhelm Stehling, Rainer M. Waser, Roger A. De Souza, Stephan Menzel
18citations -
Kinetic Modeling of a Poly(N-vinylcaprolactam-co-glycidyl methacrylate) Microgel Synthesis: A Hybrid In Silico and Experimental Approach2023 Industrial & Engineering Chemistry Research article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications
Thomas Nevolianis, Nadja Wolter, Luise F. Kaven, Lukas Krep, Can Huang, Adel Mhamdi, +3 more
13citations -
The Sluggish Diffusion of Cations in CeO2 Probed through Molecular Dynamics and Metadynamics Simulations2023 Advanced Engineering Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access
S. Körfer, Alexander Bonkowski, Joe Kler, P. D. Hatton, Blas Pedro Uberuaga, Roger A. De Souza
7citations -
Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm2020 The Journal of Physical Chemistry Letters article Earth and Planetary Sciences nanoparticles nucleation surface interactions Open access
Violeta Fuentes-Landete, Soroush Rasti, Robert Schlögl, Jörg Meyer, Thomas Loerting
4citations -
Entropy‐Mediated Stable Structural Evolution of Prussian White Cathodes for Long‐Life Na‐Ion Batteries2023 Angewandte Chemie International Edition article Engineering Advancements in Battery Materials Open access
Yueyue He, Sören Lukas Dreyer, Yin‐Ying Ting, Yuan Ma, Yang Hu, Damian Goonetilleke, +10 more
73citations -
Perovskite crystal symmetry and oxygen-ion transport: a molecular-dynamics study of perovskite2021 Journal of Materials Chemistry A article Materials Science Advancements in Solid Oxide Fuel Cells Open access
Elisabeth Robens, Robert Rauschen, Johannes Kaub, Jana P. Parras, Dennis Kemp, Colin L. Freeman, +1 more
36citations -
Faster Diffusion of Oxygen Along Dislocations in (La,Sr)MnO 3+δ Is a Space‐Charge Phenomenon2021 Advanced Functional Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access
Jacqueline M. Börgers, Joe Kler, Ke Ran, Elizabeth Larenz, Thomas E. Weirich, Regina Dittmann, +1 more
30citations -
Modeling the Droplet Impact on the Substrate with Surface Preparation in Thermal Spraying with SPH2023 Journal of Thermal Spray Technology article Engineering Fluid Dynamics Simulations and Interactions Open access
Kirsten Bobzin, H. Heinemann, K. Jasutyn, Stefan Rhys Jeske, Jan Bender, Sergej Warkentin, +3 more
11citations