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Papers matching “vacancy migration” 45

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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
The surprisingly high activation barrier for oxygen-vacancy migration in oxygen-excess manganite perovskites
2020 Physical Chemistry Chemical Physics article Materials Science Advancements in Solid Oxide Fuel Cells

Jacqueline M. Börgers, Roger A. De Souza

34

citations
Atomic Insights into Oxygen Vacancy Generation of Titania Nanoparticles via High-Temperature Gas-Phase Synthesis Routes
2025 Chemistry of Materials article Energy TiO2 Photocatalysis and Solar Cells

Hu Meng, Qian Mao, Heinz G. Pitsch, Yihua Ren

2

citations
Metadynamics simulations of strontium-vacancy diffusion in SrTiO3
2021 Physical Review Materials article Materials Science Advancements in Solid Oxide Fuel Cells

Henrik J. Heelweg, Roger A. De Souza

16

citations
Ab initio investigation of OH − vehicle migration in yttrium-doped barium zirconate
2024 Journal of Materials Chemistry A article Materials Science Advancements in Solid Oxide Fuel Cells

Sebastian Eisele, Jan N. Andreschak, Fabian M. Draber, Manfred Martin, Steffen Grieshammer

1

citations
Oxygen Ion Migration and Conductivity in LaSrGa3O7 Melilites from First Principles
2020 Chemistry of Materials article Materials Science Advancements in Solid Oxide Fuel Cells

Judith Schuett, Tim K. Schultze, Steffen Grieshammer

28

citations
A Physical Description of the Variability in Single‐ReRAM Devices and Hardware‐Based Neuronal Networks
2023 Advanced Intelligent Systems article Engineering Advanced Memory and Neural Computing Open access

Carsten Funck, Stefan Wiefels, Christopher Bengel, Kristoffer Schnieders, Susanne Hoffmann‐Eifert, Regina Dittmann, +1 more

3

citations
Kinetic Monte Carlo Simulations for Solid State Ionics: Case Studies with the MOCASSIN Program
2021 Diffusion foundations article Materials Science Advancements in Solid Oxide Fuel Cells

Steffen Grieshammer, Sebastian Eisele

2

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
Investigation of the Large Variability of HfO2‐Based Resistive Random Access Memory Devices with a Small Current Compliance by a Kinetic Monte Carlo Model
2023 physica status solidi (a) article Engineering Advanced Memory and Neural Computing Open access

Ching-Jung Chen, Konstantin Z. Rushchanskii, Christoph Jungemann

2

citations
Ferroelectric and resistive switching in epitaxial Hf$_{0.5}$Zr$_{0.5}$O$_{2}$
2025 JuSER (Forschungszentrum Jülich) dissertation Engineering Ferroelectric and Negative Capacitance Devices Open access

0

citations
The oxygen ion conductivity of Lu doped ceria
2020 Journal of Physics Condensed Matter article Materials Science Advancements in Solid Oxide Fuel Cells cited by 1 patent

Julius Koettgen, Gerald Dück, Manfred Martin

9

citations
Accurate evaluation method for HRS retention of VCM ReRAM
2024 APL Materials article Engineering Advanced Memory and Neural Computing Open access

Nils Kopperberg, Dirk J. Wouters, Rainer Waser, Stephan Menzel, Stefan Wiefels

8

citations
Optimization of self-rectifying analog memristors by insertion of an interfacial layer
2024 Applied Physics Letters article Engineering Advanced Memory and Neural Computing

Xianyue Zhao, Kefeng Li, Ziang Chen, Andrea Dellith, Jan Dellith, Uwe Hübner, +5 more

5

citations
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 Simulation
2024 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

3

citations
HRS Retention of 28 nm BEOL Integrated ReRAM
2025 IEEE Electron Devices Technology & Manufacturing Conference (EDTM) conference-paper Engineering Advanced Memory and Neural Computing

Stefan Wiefels, Nils Kopperberg, Stephan Menzel

0

citations
Dual‐Mode Operation of Epitaxial Hf 0.5 Zr 0.5 O 2 : Ferroelectric and Filamentary‐Type Resistive Switching
2023 physica status solidi (a) article Engineering Ferroelectric and Negative Capacitance Devices Open access

Fenja Berg, Kalle Goß, U. Böttger, Regina Dittmann

13

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
Impact of O Concentration on the Thermal Stability and Decomposition Mechanism of (Cr, Al)N Compared to (Ti, Al)N Thin Films
2026 SSRN Electronic Journal preprint Engineering Metal and Thin Film Mechanics Open access

Pauline Kümmerl, Ganesh Kumar Nayak, Felix Leinenbach, Zsolt Czigány, Daniel Primetzhofer, S. Kolozsvári, +3 more

0

citations
Ionische Leitfähigkeit in Akzeptor-Dotiertem Bariumzirkonat
2021 RWTH Publications (RWTH Aachen) dissertation Materials Science Advancements in Solid Oxide Fuel Cells Open access

Fabian M. Draber

2

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
Oxygen transport at a ferroelastic domain wall in CaTiO3
2022 Physical Review Materials article Materials Science Ferroelectric and Piezoelectric Materials

Robert Rauschen, Roger A. De Souza

5

citations
Impact of O concentration on the thermal stability and decomposition mechanism of (Cr,Al)N compared to (Ti,Al)N thin films
2026 Acta Materialia article Engineering Metal and Thin Film Mechanics Open access

Pauline Kümmerl, Ganesh Kumar Nayak, Felix Leinenbach, Zsolt Czigány, Daniel Primetzhofer, S. Kolozsvári, +3 more

0

citations
Impact of d-states on transition metal impurity diffusion in TiN
2023 Scientific Reports article Materials Science Fusion materials and technologies Open access

Ganesh Kumar Nayak, David Holec, Martin Zelený

5

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