Publications

Showing 1 - 50 of 304 Results

  • 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, -, jace.17905 (2021)
    [DOI: 10.1111/jace.17905]
  • Yoo, Han-Ill; Kim, Jihye; Joo, Wonhyo; Martin, Manfred
    Mechanistic origin of the time-dependence of the open-circuit voltage of a galvanic cell involving a ternary or higher compound
    Physical chemistry, chemical physics : PCCP, 28, 15119-15126 (2021)
    [DOI: 10.1039/D1CP01793D]
  • Neitzel-Grieshammer, Steffen Paul; Belova, Irina V.; Murch, Graeme E.
    Thermodiffusion and ion transport in doped ceria by molecular dynamics simulations
    Acta materialia, 210, 116802 (2021)
    [DOI: 10.1016/j.actamat.2021.116802]
  • 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, 5, 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, 19, 11327-11333 (2021)
    [DOI: 10.1039/d1cp01120k]
  • Harrington, George F.; Kim, Sunho; Sasaki, Kazunari; Tuller, Harry L.; Grieshammer, Steffen
    Strain-modified ionic conductivity in rare-earth substituted ceria : effects of migration direction, barriers, and defect-interactions
    Journal of materials chemistry / A, 9, 13, 8630-8643 (2021)
    [DOI: 10.1039/d0ta12150a]
  • Neitzel-Grieshammer, Steffen Paul
    The effect of defect interactions on the reduction of doped ceria
    Physical chemistry, chemical physics : PCCP, 23, 17, 10321-10325 (2021)
    [DOI: 10.1039/d1cp00925g]
  • Eisele, Sebastian; Draber, Fabian Michael; Grieshammer, Steffen Paul
    The effect of ionic defect interactions on the hydration of yttrium-doped barium zirconate
    Physical chemistry, chemical physics, 23, 8, 4882-4891 (2021)
    [DOI: 10.1039/D0CP06587K]
  • 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, 4, 2287-2298 (2021)
    [DOI: 10.1021/acs.jpcc.0c10174]
  • Hou, Hui; Schütz, Hanno Maria; Giffin, Jürgen; Wippermann, Klaus; Gao, Xinpei; Mariani, Alessandro; Passerini, Stefano; Korte, Carsten
    Acidic Ionic Liquids Enabling Intermediate Temperature Operation Fuel Cells
    ACS applied materials & interfaces, 13, 7, 8370-8382 (2021)
    [DOI: 10.1021/acsami.0c20679]
  • Draber, Fabian Michael
    Ionic conductivity in acceptor-doped barium zirconate
    (2021)
    [DOI: 10.18154/RWTH-2021-03399]
  • 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, 1, 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, 1, 013804 (2021)
    [DOI: 10.1103/PhysRevMaterials.5.013804]
  • Janzen, Benjamin M.; Mazzolini, Piero; Gillen, Roland; Falkenstein, Andreas; Martin, Manfred; Tornatzky, Hans; Maultzsch, Janina; Bierwagen, Oliver; Wagner, Markus R.
    Isotopic study of Raman active phonon modes in β-Ga$_{2}$O$_{3}$
    Journal of materials chemistry / C, 9, 7, 2311-2320 (2021)
    [DOI: 10.1039/D0TC04101G]
  • 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, 2, 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]
  • Hein, Philipp Andreas; Grope, Benjamin O. H.; Köttgen, Julius Rütger; Grieshammer, Steffen Paul; Martin, Manfred (Editor)
    Kinetic Monte Carlo simulations of ionic conductivity in oxygen ion conductors
    Materials chemistry and physics, 257, 123767 (2020)
    [DOI: 10.1016/j.matchemphys.2020.123767]
  • 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, 12, 123404 (2020)
    [DOI: 10.1103/PhysRevMaterials.4.123404]
  • Mazzolini, Piero; Falkenstein, Andreas; Galazka, Zbigniew; Martin, Manfred; Bierwagen, Oliver
    Offcut-related step-flow and growth rate enhancement during (100) β-Ga2O3 homoepitaxy by metal-exchange catalyzed molecular beam epitaxy (MEXCAT-MBE)
    Applied physics letters, 117, 22, 222105 (2020)
    [DOI: 10.1063/5.0031300]
  • Liao, Longfei; Ditz, Daniel; Zeng, Feng; Alves-Favaro, Marcelo; Iemhoff, Andree; Gupta, Kavita; Hartmann, Heinrich; Szczuka, Conrad; Jakes, Peter; Hausoul, Peter J. C.; Artz, Jens; Palkovits, Regina
    Efficient Photocatalytic Oxidation of Aromatic Alcohols over Thiophene‐based Covalent Triazine Frameworks with A Narrow Band Gap
    ChemistrySelect, 5, 45, 14438-14446 (2020)
    [DOI: 10.1002/slct.202004115]
  • Müller, Michael Patrick
    Ion transport in HfO$_{2}$
    (2020)
  • Lin, Jingjing; Korte, Carsten
    Influence of the acid–base stoichiometry and residual water on the transport mechanism in a highly-Brønsted-acidic proton-conducting ionic liquid
    RSC Advances, 10, 69, 42596-42604 (2020)
    [DOI: 10.1039/D0RA08969A]
  • 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, 23, 4693-4694 (2020)
    [DOI: 10.1002/celc.202001357]
  • Dąbrowa, Juliusz; Olszewska, Anna; Falkenstein, Andreas; Schwab, Christian; Szymczak, Maria; Zajusz, Marek; Moździerz, Maciej; Mikuła, Andrzej; Zielińska, Klaudia; Berent, Katarzyna; Czeppe, Tomasz; Martin, Manfred; Świerczek, Konrad
    An innovative approach to design SOFC air electrode materials: high entropy La 1−x Sr x (Co,Cr,Fe,Mn,Ni)O 3−δ ( x = 0, 0.1, 0.2, 0.3) perovskites synthesized by the sol–gel method
    Journal of materials chemistry / A, 8, 24455-24468 (2020)
    [DOI: 10.1039/D0TA06356H]
  • 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]
  • Köttgen, Julius Rütger; Grieshammer, Steffen Paul; Dück, Gerald; Ulbrich, Gregor; Lerch, Martin; Martin, Manfred
    Ab initio and experimental oxygen ion conductivities in Sm-Zr and Gd-Zr co-doped ceria
    Solid state ionics, 355, 115422 (2020)
    [DOI: 10.1016/j.ssi.2020.115422]
  • Grieshammer, Steffen Paul; Momenzadeh, Leila; Belova, Irina V.; Murch, Graeme E.
    Ionic and thermal conductivity of pure and doped ceria by molecular dynamics
    Solid state ionics, 355, 115424 (2020)
    [DOI: 10.1016/j.ssi.2020.115424]
  • 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, 2, 024001 (2020)
    [DOI: 10.1088/2515-7655/ab5cfd]
  • Eisele, Sebastian; Grieshammer, Steffen Paul
    MOCASSIN : Metropolis and kinetic Monte Carlo for solid electrolytes
    Journal of computational chemistry, 41, 31, 2663-2677 (2020)
    [DOI: 10.1002/jcc.26418]
  • 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, 48, 2004118 (2020)
    [DOI: 10.1002/adfm.202004118]
  • Sun, Yu; Hess, Franziska; Djerdj, Igor; Wang, Zheng; Weber, Tim; Guo, Yanglong; Smarsly, Bernd M.; Over, Herbert
    sReactivation of CeO2‐based Catalysts in the HCl Oxidation Reaction : In situ Quantification of the Degree of Chlorination and Kinetic Modeling
    ChemCatChem, 12, 21, 5511-5522 (2020)
    [DOI: 10.1002/cctc.202000907]
  • 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, 23, 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, 32, 36768-36777 (2020)
    [DOI: 10.1021/acsami.0c09605]
  • Lin, Jiaying; Korte, Carsten
    PBI-type Polymers and Acidic Proton Conducting Ionic Liquids : Conductivity and Molecular Interactions
    Fuel cells, 20, 4, 461-468 (2020)
    [DOI: 10.1002/fuce.201900201]
  • 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, 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, 25, 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]
  • Schütt, Judith; Schultze, Tim K.; Grieshammer, Steffen Paul
    Oxygen Ion Migration and Conductivity in LaSrGa 3 O 7 Melilites from First Principles
    Chemistry of materials, 32, 11, 4442-4450 (2020)
    [DOI: 10.1021/acs.chemmater.9b04599]
  • Waldow, Stephan Peter
    Untersuchung der Sauerstofftransporteigenschaften in akzeptor- und donator-dotiertem Ceroxid
    (2020)
    [DOI: 10.18154/RWTH-2020-07751]
  • 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, 10, 5413-5417 (2020)
    [DOI: 10.1039/C9CP06838D]
  • Jehnichen, Philipp Andreas
    Analyse der Degradation von Lithiumhochvoltkathodenmaterialien durch kombinierte elektrochemische und schwingungsspektroskopische Operando-Untersuchungen
    (2020)
    [DOI: 10.18154/RWTH-2020-05753]
  • Eigen, Julian; Schröder, Michael
    Redox cycling stability of Fe2NiO4/YSZ composite storage materials for rechargeable oxide batteries
    Energy storage materials, 28, 112-121 (2020)
    [DOI: 10.1016/j.ensm.2020.02.032]
  • Köttgen, Julius Rütger; Martin, Manfred
    Infinite dilution in doped ceria and high activation energies
    Solid state communications, 314/315, 113939 (2020)
    [DOI: 10.1016/j.ssc.2020.113939]
  • Köttgen, Julius Rütger; Dück, Gerald; Martin, Manfred
    The oxygen ion conductivity of Lu doped ceria
    Journal of physics / Condensed matter, 32, 26, 265402 (2020)
    [DOI: 10.1088/1361-648X/ab7d64]
  • Draber, Fabian M.; Ader, Christiane; Arnold, John P.; Eisele, Sebastian; Grieshammer, Steffen Paul; Yamaguchi, Shu; Martin, Manfred
    Nanoscale percolation in doped BaZrO3 for high proton mobility
    Nature materials, 19, 3, 338-346 (2019)
    [DOI: 10.1038/s41563-019-0561-7]
  • Köttgen, Julius Rütger; Martin, Manfred
    The ionic conductivity of Sm‐doped ceria
    Journal of the American Ceramic Society, 103, 6, 3776-3787 (2020)
    [DOI: 10.1111/jace.17066]
  • Lin, Jingjing; Wang, Liming; Zinkevich, Tatiana; Indris, Sylvio; Suo, Yanpeng; Korte, Carsten
    Influence of residual water and cation acidity on the ionic transport mechanism in proton-conducting ionic liquids
    Physical chemistry, chemical physics : PCCP, 22, 3, 1145-1153 (2019)
    [DOI: 10.1039/C9CP04723A]
  • Lin, Jingjing; Wang, Liming; Zinkevich, Tatiana; Indris, Sylvio; Suo, Yanpeng; Korte, Carsten
    Correction: Influence of residual water and cation acidity on the ionic transport mechanism in proton-conducting ionic liquids
    Physical chemistry, chemical physics : PCCP, 22, 9, 5383-5383 (2020)
    [DOI: 10.1039/D0CP90046J]
  • Mazzolini, P.; Falkenstein, Andreas; Wouters, C.; Schewski, R.; Markurt, T.; Galazka, Z.; Martin, Manfred; Albrecht, M.; Bierwagen, O.
    Substrate-orientation dependence of β-Ga 2 O 3 (100), (010), (001), and (2¯01) homoepitaxy by indium-mediated metal-exchange catalyzed molecular beam epitaxy (MEXCAT-MBE)
    APL materials, 8, 1, 011107 (2020)
    [DOI: 10.1063/1.5135772]
  • 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, 1, 5-22 (2019)
    [DOI: 10.1111/jace.16716]