Publications PD Dr. Roger A. De Souza

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  • Hasle, Ida; Waldow, Stephan P.; Gries, Ute N.; De Souza, Roger A.; Vøllestad, Einar; Haugsrud, Reidar
    B-site cation inter-diffusion in yttrium substituted barium zirconate
    Journal of materials chemistry / A, 9, 21142-21150 (2021)
    [DOI: 10.1039/D1TA02391H]
  • Börgers, Jacqueline M.; Kler, Joe; Ran, Ke; Larenz, Elizabeth; Weirich, Thomas E.; Dittmann, Regina; De Souza, Roger A.
    Faster Diffusion of Oxygen Along Dislocations in (La,Sr)MnO$_{3+δ}$ Is a Space-Charge Phenomenon
    Advanced functional materials, 2105647 (2021)
    [DOI: 10.1002/adfm.202105647]
  • De Souza, Roger A.
    Transport properties of dislocations in SrTiO3 and other perovskites
    Current opinion in solid state & materials science, 25, 100923 (2021)
    [DOI: 10.1016/j.cossms.2021.100923]
  • Parras, Jana P.; Feldmann, Gereon; De Souza, Roger A.
    Fast grain-boundary diffusion paths in ionic solids : Space-charge layers versus interfacial core
    Journal of the American Ceramic Society, 104, 5946-5954 (2021)
    [DOI: 10.1111/jace.17905]
  • Usler, Adrian Leonhard; De Souza, Roger A.
    A Critical Examination of the Mott–Schottky Model of Grain-Boundary Space-Charge Layers in Oxide-Ion Conductors
    Journal of the Electrochemical Society : JES, 168, 056504 (2021)
    [DOI: 10.1149/1945-7111/abfb37]
  • Li, Linhao; Kler, Joe; West, Anthony R.; De Souza, Roger A.; Sinclair, Derek C.
    High oxide-ion conductivity in acceptor-doped Bi-based perovskites at modest doping levels
    Physical chemistry, chemical physics : PCCP, 23, 11327-11333 (2021)
    [DOI: 10.1039/d1cp01120k]
  • Wollstadt, Stephan; De Souza, Roger A.; Clemens, Oliver
    Kinetic Study of the Interdiffusion of Fluorine and Oxygen in the Perovskite-Type Barium Ferrate System BaFeO2.5–xF2x
    The journal of physical chemistry / C, 125, 2287-2298 (2021)
    [DOI: 10.1021/acs.jpcc.0c10174]
  • Guillon, Olivier; De Souza, Roger A.; Mishra, Tarini Prasad; Rheinheimer, Wolfgang
    Electric-field-assisted processing of ceramics : Nonthermal effects and related mechanisms
    MRS bulletin, 46, 52-58 (2021)
    [DOI: 10.1557/s43577-020-00008-w]
  • Heelweg, Henrik J.; De Souza, Roger A.
    Metadynamics simulations of strontium-vacancy diffusion in SrTiO 3
    Physical review materials, 5, 013804 (2021)
    [DOI: 10.1103/PhysRevMaterials.5.013804]
  • Müller, Michael Patrick; Gunkel, Felix; Hoffmann-Eifert, Susanne; De Souza, Roger A.
    The importance of singly charged oxygen vacancies for electrical conduction in monoclinic HfO2
    Journal of applied physics, 129, 025104 (2021)
    [DOI: 10.1063/5.0036024]
  • De Souza, Roger A.; Mueller, David N.
    Electrochemical methods for determining ionic charge in solids
    Nature materials, 20, 443-446 (2020)
    [DOI: 10.1038/s41563-020-0790-9]
  • Gries, U. N.; Kessel, M.; Hensling, F. V. E.; Dittmann, R.; Martin, Manfred; De Souza, Roger A.
    Behavior of cation vacancies in single-crystal and in thin-film SrTiO 3 : The importance of strontium vacancies and their defect associates
    Physical review materials, 4, 123404 (2020)
    [DOI: 10.1103/PhysRevMaterials.4.123404]
  • Genreith-Schriever, Annalena R.; Parras, Jana P.; Heelweg, Henrik; De Souza, Roger A.
    The Intrinsic Structural Resistance of a Grain Boundary to Transverse Ionic Conduction
    ChemElectroChem, 7, 4693-4694 (2020)
    [DOI: 10.1002/celc.202001357]
  • Falkenstein, Andreas; De Souza, Roger A.; Meulenberg, Wilhelm A.; Martin, Manfred
    A quantitative analysis of two-fold electrical conductivity relaxation behaviour in mixed proton–oxide-ion–electron conductors upon hydration
    Physical chemistry, chemical physics, 22, 25032-25041 (2020)
    [DOI: 10.1039/D0CP03264F]
  • Waldow, Stephan Peter; De Souza, Roger A.
    Is excess faster than deficient? A molecular-dynamics study of oxygen-interstitial and oxygen-vacancy diffusion in CeO2
    Journal of Physiks energy, 2, 024001 (2020)
    [DOI: 10.1088/2515-7655/ab5cfd]
  • Heisig, Thomas; Kler, Joe; Du, Hongchu; Bäumer, Christoph; Hensling, Felix; Glöß, Maria; Moors, Marco; Locatelli, Andrea; Menteş, Tevfik Onur; Genuzio, Francesca; Mayer, Joachim; De Souza, Roger A.; Dittmann, Regina
    Antiphase Boundaries Constitute Fast Cation Diffusion Paths in SrTiO 3 Memristive Devices
    Advanced functional materials, 30, 2004118 (2020)
    [DOI: 10.1002/adfm.202004118]
  • Genreith-Schriever, Annalena R.; Parras, Jana P.; Heelweg, Henrik J.; De Souza, Roger A.
    The Intrinsic Structural Resistance of a Grain Boundary to Transverse Ionic Conduction
    ChemElectroChem, 7, 4718-4723 (2020)
    [DOI: 10.1002/celc.202000773]
  • Waldow, Stephan Peter; Statham, Benjamin J.; Wardenga, Hans F.; Weirich, Thomas E.; Klein, Andreas; De Souza, Roger A.
    Oxygen Surface Exchange and Tracer Diffusion in Differently Oriented Thin Films of Gd-Doped CeO2
    ACS applied materials & interfaces, 12, 36768-36777 (2020)
    [DOI: 10.1021/acsami.0c09605]
  • Müller, Michael Patrick; Pingen, Katrin; Hardtdegen, Alexander; Aussen, Stephan; Kindsmueller, Andreas; Hoffmann-Eifert, Susanne; De Souza, Roger A.
    Cation diffusion in polycrystalline thin films of monoclinic HfO 2 deposited by atomic layer deposition
    APL materials, 8, 081104 (2020)
    [DOI: 10.1063/5.0013965]
  • Börgers, Jacqueline Marie; De Souza, Roger A.
    The surprisingly high activation barrier for oxygen-vacancy migration in oxygen-excess manganite perovskites
    Physical chemistry, chemical physics : PCCP, 22, 14329-14339 (2020)
    [DOI: 10.1039/D0CP01281E]
  • Parras, Jana P.; De Souza, Roger A.
    Grain-boundary diffusion of cations in fluorite-type oxides is faster but not always easier
    Acta materialia, 195, 383-391 (2020)
    [DOI: 10.1016/j.actamat.2020.05.022]
  • Kaub, Johannes; Kler, Joe; Parker, Stephen C.; De Souza, Roger A.
    The usefulness of molecular-dynamics simulations in clarifying the activation enthalpy of oxygen-vacancy migration in the perovskite oxide BaTiO 3
    Physical chemistry, chemical physics, 22, 5413-5417 (2020)
    [DOI: 10.1039/C9CP06838D]
  • Tong, Xiaorui; Mebane, David S.; De Souza, Roger A.
    Analyzing the grain‐boundary resistance of oxide‐ion conducting electrolytes: Poisson‐Cahn vs Poisson‐Boltzmann theories
    Journal of the American Ceramic Society, 103, 5-22 (2019)
    [DOI: 10.1111/jace.16716]
  • Parras, Jana P.; Cao, Chen; Ma, Zheng; Mücke, Robert; Jin, Lei; Dunin-Borkowski, Rafal E.; Guillon, Olivier; De Souza, Roger A.
    The grain-boundary resistance of CeO2 ceramics : A combined microscopy-spectroscopy-simulation study of a dilute solution
    Journal of the American Ceramic Society, 103, 1755-1764 (2019)
    [DOI: 10.1111/jace.16843]
  • De Souza, Roger A.; Barboni, Denis
    Iodide-ion conduction in methylammonium lead iodide perovskite : some extraordinary aspects
    Chemical communications : ChemComm, 55, 1108-1111 (2019)
    [DOI: 10.1039/C8CC09236B]
  • Zhu, Jiaxin; Lee, Jung-Woo; Lee, Hyungwoo; Xie, Lin; Pan, Xiaoqing; De Souza, Roger A.; Eom, Chang-Beom; Nonnenmann, Stephen S.
    Probing vacancy behavior across complex oxide heterointerfaces
    Science advances, 5, eaau8467 (2019)
    [DOI: 10.1126/sciadv.aau8467]
  • De Souza, Roger A.; Dickey, E. C.
    The effect of space-charge formation on the grain-boundary energy of an ionic solid
    Philosophical transactions of the Royal Society of London / A, 377, 20180430 (2019)
    [DOI: 10.1098/rsta.2018.0430]
  • Zhang, Haiwu; De Souza, Roger A.
    Optimising oxygen diffusion in non-cubic, non-dilute perovskite oxides based on BiFeO3
    Journal of materials chemistry / A, 7, 25274-25278 (2019)
    [DOI: 10.1039/C9TA08980B]
  • Kwon, Deok‐Hwang; Lee, Shinbuhm; Kang, Chan Soon; Choi, Yong Seok; Kang, Sung Jin; Cho, Hae Lim; Sohn, Woonbae; Jo, Janghyun; Lee, Seung‐Yong; Oh, Kyu Hwan; Noh, Tae Won; De Souza, Roger A.; Martin, Manfred; Kim, Miyoung
    Unraveling the Origin and Mechanism of Nanofilament Formation in Polycrystalline SrTiO3 Resistive Switching Memories
    Advanced materials, 31, 1901322 (2019)
    [DOI: 10.1002/adma.201901322]
  • Rheinheimer, Wolfgang; Parras, Jana P.; Preusker, Jan-Helmut; De Souza, Roger A.; Hoffmann, Michael J.
    Grain growth in strontium titanate in electric fields : The impact of space-charge on the grain-boundary mobility
    Journal of the American Ceramic Society, 102, 3779-3790 (2018)
    [DOI: 10.1111/jace.16217]
  • Hellwig, Maren; Köppen, Martin; Hiller, Albert; Koslowski, Hans; Litnovsky, Andrey; Schmid, Klaus; Schwab, Christian; De Souza, Roger A.
    Impact of Surface Roughness on Ion-Surface Interactions Studied with Energetic Carbon Ions 13C+ on Tungsten Surfaces
    Condensed Matter, 4, 29 (2019)
    [DOI: 10.3390/condmat4010029]
  • Waldow, Stephan P.; Wardenga, Hans; Beschnitt, Stefan; Klein, Andreas; De Souza, Roger A.
    Concentration and Diffusivity of Oxygen Interstitials in Niobia-Doped Ceria
    The journal of physical chemistry / C, 123, 6340-6350 (2019)
    [DOI: 10.1021/acs.jpcc.8b10613]
  • Kessel, Markus; De Souza, Roger A.; Martin, Manfred
    Correction: Oxygen diffusion in single crystal barium titanate
    Physical chemistry, chemical physics, 20, 29568-29568 (2018)
    [DOI: 10.1039/C8CP91913E]
  • Heisig, Thomas; Bäumer, Christoph; Gries, Ute; Müller, Michael Patrick; La Torre, Camilla; Lübben, Michael; Raab, Nicolas; Du, Hongchu; Menzel, Stephan; Mueller, David N.; Jia, Chun-Lin; Mayer, Joachim; Waser, Rainer; Valov, Ilia; De Souza, Roger A.; Dittmann, Regina
    Oxygen Exchange Processes between Oxide Memristive Devices and Water Molecules
    Advanced materials, 30, 1800957 (2018)
    [DOI: 10.1002/adma.201800957]
  • Barboni, Denis; De Souza, Roger A.
    The thermodynamics and kinetics of iodine vacancies in the hybrid perovskite methylammonium lead iodide
    Energy & environmental science, 11, 3266-3274 (2018)
    [DOI: 10.1039/C8EE01697F]
  • Zhang, Haiwu; Ramadan, Amr Hazem Helmy; De Souza, Roger A.
    Atomistic simulations of ion migration in sodium bismuth titanate (NBT) materials: towards superior oxide-ion conductors
    Journal of materials chemistry / A, 6, 9116-9123 (2018)
    [DOI: 10.1039/C8TA02545B]
  • Kumar, Nitish; Patterson, Eric A.; Frömling, Till; Gorzkowski, Edward P.; Eschbach, Peter; Love, Ian; Müller, Michael Patrick; De Souza, Roger A.; Tucker, Julie; Reese, Steven R.; Cann, David P.
    Defect mechanisms in BaTiO3‐BiMO3 ceramics
    Journal of the American Ceramic Society, 101, 2376-2390 (2017)
    [DOI: 10.1111/jace.15403]
  • Müller, Michael Patrick; De Souza, Roger A.
    SIMS study of oxygen diffusion in monoclinic HfO2 editors-pick
    Applied physics letters, 112, 051908 (2018)
    [DOI: 10.1063/1.5020370]
  • Gries, Ute; Schraknepper, Henning; Skaja, K.; Gunkel, Felix; Hoffmann-Eifert, S.; Waser, Rainer; De Souza, Roger A.
    A SIMS study of cation and anion diffusion in tantalum oxide
    Physical chemistry, chemical physics : PCCP, 2018, 989-996 (2018)
    [DOI: 10.1039/C7CP07441G]
  • Witte, Wolfram; De Souza, Roger A.; Martin, Manfred; Eicke, Axel; Hariskos, Dimitrios
    Deuterium Markers in CdS and Zn(O,S) Buffer Layers Deposited by Solution Growth for Cu(In,Ga)Se 2 Thin-Film Solar Cells
    Physica status solidi / Rapid research letters, 11, 1700288 (2017)
    [DOI: 10.1002/pssr.201700288]
  • Zurhelle, Alexander Friedrich; Tong, Xiaorui; Klein, Andreas; Mebane, David S.; De Souza, Roger A.
    A Space-Charge Treatment of the Increased Concentration of Reactive Species at the Surface of a Ceria Solid Solution
    Angewandte Chemie / International edition, 56, 14516-14520 (2017)
    [DOI: 10.1002/anie.201708118]
  • Kura, Chiharu; Kunisada, Yuji; Tsuji, Etsushi; Zhu, Chunyu; Habazaki, Hiroki; Nagata, Shinji; Müller, Michael Patrick; De Souza, Roger A.; Aoki, Yoshitaka
    Hydrogen separation by nanocrystalline titanium nitride membranes with high hydride ion conductivity
    Nature energy, 2, 786-794 (2017)
    [DOI: 10.1038/s41560-017-0002-2]
  • De Souza, Roger A.
    Limits to the rate of oxygen transport in mixed-conducting oxides
    Journal of materials chemistry / A, 5, 20334-20350 (2017)
    [DOI: 10.1039/C7TA04266C]
  • Beschnitt, Stefan; De Souza, Roger A.
    Impurity diffusion of Hf and Zr in Gd-doped CeO 2
    Solid state ionics, 305, 23-29 (2017)
    [DOI: 10.1016/j.ssi.2017.03.029]
  • Schie, Marcel; Müller, Michael Patrick; Salinga, Martin; Waser, Rainer; De Souza, Roger A.
    Ion migration in crystalline and amorphous HfO X
    The journal of chemical physics, 146, 094508 (2017)
    [DOI: 10.1063/1.4977453]
  • De Souza, Roger A.; Amezawa, Koji; Burriel, Mónica; Chueh, William; Kelder, Erik M.
    Special Issue for the E-MRS Spring Meeting Symposium D on Solid State Ionics
    Solid state ionics, 299, 1-1 (2017)
    [DOI: 10.1016/j.ssi.2016.12.018]
  • Schraknepper, Henning; Bäumer, Christoph; Gunkel, Felix; Dittmann, Regina; De Souza, Roger A.
    Pulsed laser deposition of SrRuO 3 thin-films: The role of the pulse repetition rate
    APL materials, 4, 126109 (2016)
    [DOI: 10.1063/1.4972996]
  • Genreith-Schriever, Annalena R.; De Souza, Roger A.
    Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
    Physical review / B, 94, 224304 (2016)
    [DOI: 10.1103/PhysRevB.94.224304]
  • Ramadan, Amr Hazem Helmy; De Souza, Roger A.
    Atomistic simulations of symmetrical low-angle [100] (01/) tilt boundaries in SrTiO3
    Acta materialia, 118, 286-295 (2016)
    [DOI: 10.1016/j.actamat.2016.07.035]
  • Teusner, Markus; De Souza, Roger A.; Krause, H.; Ebbinghaus, S. G.; Martin, Manfred
    Oxygen transport in undoped and doped mayenite
    Solid state ionics, 284, 25-27 (2016)
    [DOI: 10.1016/j.ssi.2015.11.024]