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Papers matching “activation enthalpy” 49

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Non-isothermal reduction of TeO2 by hydrogen: Integrated distributed-activation-energy-model (DAEM)-shrinking-core-model (SCM) kinetic modeling and enthalpy-entropy compensation analysis
2026 International Journal of Hydrogen Energy article Materials Science Thermal and Kinetic Analysis Open access

Hanwen Chung, Bojan Janković, Semiramis Friedrich, Bernd Friedrich

0

citations
The usefulness of molecular-dynamics simulations in clarifying the activation enthalpy of oxygen-vacancy migration in the perovskite oxide BaTiO 3
2020 Physical Chemistry Chemical Physics article Materials Science Ferroelectric and Piezoelectric Materials

Johannes Kaub, Joe Kler, Stephen C. Parker, Roger A. De Souza

24

citations
Faster grain-boundary diffusion with a higher activation enthalpy than bulk diffusion in ionic space-charge layers
2026 Physical Chemistry Chemical Physics article Materials Science Dielectric properties of ceramics Open access

Timon F. Kielgas, Roger A. De Souza

1

citations
Compensation effects between the apparent activation energy and pre-exponential factor in simple models of electrocatalytic hydrogen evolution
2026 Faraday Discussions article Energy Electrocatalysts for Energy Conversion Open access

Jan Fingerhut, Rifael Z. Snitkoff‐Sol, M. Albers, Rafaël E. Vos, Onno van der Heijden, Marc T. M. Koper

10

citations
Infinite dilution in doped ceria and high activation energies
2020 Solid State Communications article Materials Science Advancements in Solid Oxide Fuel Cells Open access

Julius Koettgen, Manfred Martin

5

citations
Hydration Entropy and Enthalpy of a Perovskite Oxide from Oxygen Tracer Diffusion Experiments
2022 The Journal of Physical Chemistry Letters article Materials Science Advancements in Solid Oxide Fuel Cells

Joe Kler, Roger A. De Souza

14

citations
One Stone, Two Birds: Using High Electric Fields to Enhance the Mobility and the Concentration of Point Defects in Ion-Conducting Solids
2024 Journal of the American Chemical Society article Materials Science Advancements in Solid Oxide Fuel Cells Open access

Dennis Kemp, Roger A. De Souza

12

citations
Fast grain‐boundary diffusion paths in ionic solids: Space‐charge layers versus interfacial core
2021 Journal of the American Ceramic Society article Materials Science Advancements in Solid Oxide Fuel Cells Open access

Jana P. Parras, Gereon Feldmann, Roger A. De Souza

12

citations
Critical Analysis of Thermodiffusion‐Induced Unipolar Resistive Switching in a Metal‐Oxide‐Metal Memristive Device
2023 physica status solidi (a) article Engineering Advanced Memory and Neural Computing Open access

Kristof Lange, Rainer M. Waser, Stephan Menzel

0

citations
Oxygen transport in single-crystal LaAlO3 substrates
2021 Physical Review Materials article Materials Science Advancements in Solid Oxide Fuel Cells

Christian Günter Georg Schwab, Henning Schraknepper, Roger A. De Souza

8

citations
Simulating H$$^+$$, O$$^{2-}$$ and Sr$$^{2+}$$ transport in SrTiO$$_3$$ with a machine-learning potential
2025 Journal of Materials Science Materials in Energy article Materials Science Machine Learning in Materials Science Open access

Caitlin Perkampus, Stefan N. Adams, Roger A. De Souza

1

citations
Behavior of cation vacancies in single-crystal and in thin-film SrTiO3 : The importance of strontium vacancies and their defect associates
2020 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

19

citations
Oxygen Diffusion in Platinum Electrodes: A Molecular Dynamics Study of the Role of Extended Defects
2021 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

18

citations
Cation diffusion in polycrystalline thin films of monoclinic HfO2 deposited by atomic layer deposition
2020 APL Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access

Michael P. Mueller, Katrin Pingen, Alexander Hardtdegen, Stephan Aussen, Andreas Kindsmueller, Susanne Hoffmann‐Eifert, +1 more

13

citations
The Sluggish Diffusion of Cations in CeO2 Probed through Molecular Dynamics and Metadynamics Simulations
2023 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

7

citations
Oxide-ion transport at low and high electric fields in brownmillerite Sr 2 Fe 2 O 5 and perovskite SrFeO 2.5 : A molecular dynamics study
2026 Physical Review Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access

Sonja Ambaum, Stine Spinger, Roger A. De Souza

0

citations
Development of oxidation catalysts for bleaching applications using aerobic oxygen and investigation of the underlying molecular mechanisms
2020 RWTH Publications (RWTH Aachen) dissertation Materials Science Polyoxometalates: Synthesis and Applications Open access

Adam Dzierbinski

0

citations
Surface Space‐Charge Potential and Oxygen Surface Exchange Coefficient of SrTiO3: The Effect of Surface Orientation
2022 Advanced Materials Interfaces article Materials Science Advancements in Solid Oxide Fuel Cells Open access

Joe Kler, Jacqueline M. Börgers, Roger A. De Souza

13

citations
Kinetically Limited Phase Formation of Pt-Ir Based Compositionally Complex Thin Films
2020 Materials article Engineering High Entropy Alloys Studies Open access

Aparna Saksena, Dimitri Bogdanovski, Hrushikesh P. Sahasrabuddhe, Denis Mušić, Jochen M. Schneider

6

citations
Phenolic Hydrogen Transfer by Molecular Oxygen and Hydroperoxyl Radicals. Insights into the Mechanism of the Anthraquinone Process
2020 The Journal of Organic Chemistry article Chemistry Free Radicals and Antioxidants Open access

Hans‐Gert Korth, Peter Mulder

33

citations
Perovskite crystal symmetry and oxygen-ion transport: a molecular-dynamics study of perovskite
2021 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

36

citations
Faster Diffusion of Oxygen Along Dislocations in (La,Sr)MnO 3+δ Is a Space‐Charge Phenomenon
2021 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

30

citations
Electrode and Electrolyte Materials From Atomistic Simulations: Properties of LixFEPO4 Electrode and Zircon-Based Ionic Conductors
2021 Frontiers in Energy Research article Engineering Advancements in Battery Materials Open access

Piotr M. Kowalski, Zhengda He, Oskar Cheong

11

citations
Oxygen Diffusion in Brownmillerite Sr 2 Fe 2 O 5 is Two-Dimensional: Results from a Molecular Dynamics Study
2024 Chemistry of Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access

Sonja Ambaum, Neil L. Allan, Regina Dittmann, Roger A. De Souza

10

citations
Diffusion Kinetics of Ba Cations in Perovskite BaTiO3: A Combined Tracer Diffusion and Metadynamics Study
2026 Chemistry of Materials article Materials Science Ferroelectric and Piezoelectric Materials Open access

Sylvia Koerfer, Bianca Dißmann, Norman Schier, Han‐Ill Yoo, Manfred Martin, Roger A. De Souza

0

citations