Publications

Showing 51 - 100 of 342 Results

  • De Souza, Roger; 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; Neitzel-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, Ute; Kessel, Markus Franz; Hensling, F. V. E.; Dittmann, R.; Martin, Manfred; De Souza, Roger
    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 Patricia; Heelweg, Henrik; De Souza, Roger
    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; 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; Neitzel-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]
  • Neitzel-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
    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; Neitzel-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 V. E.; Glöß, Maria; Moors, Marco; Locatelli, Andrea; Menteş, Tevfik Onur; Genuzio, Francesca; Mayer, Joachim; De Souza, Roger; 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 Patricia; Heelweg, Henrik J.; De Souza, Roger
    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
    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
    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
    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 Patricia; De Souza, Roger
    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.; Neitzel-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
    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 Michael; Ader, Christiane; Arnold, John P.; Eisele, Sebastian; Neitzel-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
    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]
  • Parras, Jana Patricia; Cao, Chen; Ma, Zheng; Mücke, Robert; Jin, Lei; Dunin-Borkowski, Rafal E.; Guillon, Olivier; De Souza, Roger
    The grain-boundary resistance of CeO2 ceramics : A combined microscopy-spectroscopy-simulation study of a dilute solution
    Journal of the American Ceramic Society, 103, 3, 1755-1764 (2019)
    [DOI: 10.1111/jace.16843]
  • Arjmandi, Hamid R.; Grieshammer, Steffen Paul
    Defect formation and migration in Nasicon Li 1+x Al x Ti 2−x (PO 4 ) 3
    Physical chemistry, chemical physics : PCCP, 21, 43, 24232-24238 (2019)
    [DOI: 10.1039/C9CP04792A]
  • De Souza, Roger; Barboni, Denis
    Iodide-ion conduction in methylammonium lead iodide perovskite : some extraordinary aspects
    Chemical communications : ChemComm, 55, 8, 1108-1111 (2019)
    [DOI: 10.1039/C8CC09236B]
  • Zhu, Jiaxin; Lee, Jung-Woo; Lee, Hyungwoo; Xie, Lin; Pan, Xiaoqing; De Souza, Roger; Eom, Chang-Beom; Nonnenmann, Stephen S.
    Probing vacancy behavior across complex oxide heterointerfaces
    Science advances, 5, 2, eaau8467 (2019)
    [DOI: 10.1126/sciadv.aau8467]
  • Schultze, Tim K.; Arnold, John P.; Grieshammer, Steffen Paul
    Ab Initio Investigation of Migration Mechanisms in La Apatites
    ACS applied energy materials, 2, 7, 4708-4717 (2019)
    [DOI: 10.1021/acsaem.9b00226]
  • De Souza, Roger; 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, 2152, 20180430 (2019)
    [DOI: 10.1098/rsta.2018.0430]
  • Hess, Franziska
    Efficient Implementation of Cluster Expansion Models in Surface Kinetic Monte Carlo Simulations with Lateral Interactions: Subtraction Schemes, Supersites, and the Supercluster Contraction
    Journal of computational chemistry, 40, 30, 2664-2676 (2019)
    [DOI: 10.1002/jcc.26041]
  • Schwab, Christian; Höweling, A.; Windmüller, A.; Gonzalez-Julian, Jesus; Möller, S.; Binder, J. R.; Uhlenbruck, S.; Guillon, O.; Martin, Manfred
    Bulk and grain boundary Li-diffusion in dense LiMn2O4 pellets by means of isotope exchange and ToF-SIMS analysis
    Physical chemistry, chemical physics : PCCP, 21, 47, 26066-26076 (2019)
    [DOI: 10.1039/C9CP05128G]
  • Zhang, Haiwu; De Souza, Roger
    Optimising oxygen diffusion in non-cubic, non-dilute perovskite oxides based on BiFeO3
    Journal of materials chemistry / A, 7, 44, 25274-25278 (2019)
    [DOI: 10.1039/C9TA08980B]
  • Köttgen, Julius Rütger; Martin, Manfred
    The Effect of Jump Attempt Frequencies on the Ionic Conductivity of Doped Ceria
    The journal of physical chemistry / C, 123, 32, 19437-19446 (2019)
    [DOI: 10.1021/acs.jpcc.9b06946]
  • 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; Martin, Manfred; Kim, Miyoung
    Unraveling the Origin and Mechanism of Nanofilament Formation in Polycrystalline SrTiO3 Resistive Switching Memories
    Advanced materials, 31, 28, 1901322 (2019)
    [DOI: 10.1002/adma.201901322]
  • Guo, Pei
    Phasenchemie und Transporteigenschaften co-substituierter, mischleitender Membranenmaterialien auf der Basis von Ba$_{0.5}$Sr$_{0.5}$Co$_{0.8}$Fe$_{0.2}$O$_{3-\delta}$
    (2019)
    [DOI: 10.18154/RWTH-2019-06772]
  • Rheinheimer, Wolfgang; Parras, Jana Patricia; Preusker, Jan-Helmut; De Souza, Roger; 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, 6, 3779-3790 (2018)
    [DOI: 10.1111/jace.16217]
  • Schwab, Christian
    Lithium- und Sauerstoffdiffusion in undotiertem und Al-dotiertem LiMn$_{2}$O$_{4}$
    (2019)
    [DOI: 10.18154/RWTH-2019-04052]
  • Hellwig, Maren; Köppen, Martin; Hiller, Albert; Koslowski, Hans; Litnovsky, Andrey; Schmid, Klaus; Schwab, Christian; De Souza, Roger
    Impact of Surface Roughness on Ion-Surface Interactions Studied with Energetic Carbon Ions 13C+ on Tungsten Surfaces
    Condensed Matter, 4, 1, 29 (2019)
    [DOI: 10.3390/condmat4010029]