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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 -
Dependence of Oxygen Diffusion on the La and Sr Configuration in Melilite-Type La 1+ x Sr 1– x Ga 3 O 7+ x /2 by Neural Network Potential Molecular Dynamics Simulation2024 The Journal of Physical Chemistry C article Materials Science Advancements in Solid Oxide Fuel Cells Open access
Tsubasa Koyama, Masanobu Nakayama, Judith Schuett, Steffen Grieshammer
3citations -
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 -
Controlled Diffusion of Photoswitchable Receptors by Binding Anti-electrostatic Hydrogen-Bonded Phosphate Oligomers2020 Journal of the American Chemical Society article Materials Science Photochromic and Fluorescence Chemistry Open access
Thomas S. C. MacDonald, Ben L. Feringa, William S. Price, Sander J. Wezenberg, Jonathon E. Beves
50citations -
The usefulness of molecular-dynamics simulations in clarifying the activation enthalpy of oxygen-vacancy migration in the perovskite oxide BaTiO 32020 Physical Chemistry Chemical Physics article Materials Science Ferroelectric and Piezoelectric Materials
Johannes Kaub, Joe Kler, Stephen C. Parker, Roger A. De Souza
24citations -
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 -
Oxygen Surface Exchange and Tracer Diffusion in Differently Oriented Thin Films of Gd-Doped CeO22020 ACS Applied Materials & Interfaces article Materials Science Advancements in Solid Oxide Fuel Cells
Stephan P. Waldow, Benjamin J. Statham, Hans F. Wardenga, Thomas E. Weirich, Andreas Klein, Roger A. De Souza
13citations -
Identification of Molecular Biomarkers of Diffuse Large B-Cell Lymphoma Through Gold Nanoparticle-Based Surface-Enhanced Raman Spectroscopy (SERS) Coupled with Multivariate Analysis2026 Analytical Letters article Materials Science Gold and Silver Nanoparticles Synthesis and Applications
Rifsha Rabbani, Adeela Ismail, Haq Nawaz, Muhammad Irfan Majeed, Nosheen Rashid, Najah Alwadie, +7 more
2citations -
Quantitative Determination of Native Point‐Defect Concentrations at the ppm Level in Un‐Doped BaSnO3 Thin Films2022 Advanced Functional Materials article Materials Science Electronic and Structural Properties of Oxides Open access
Kendra Solveig Belthle, Ute N. Gries, Michael P. Mueller, Dennis Kemp, Abhinav Prakash, Marc‐André Rose, +4 more
14citations