Publications

Showing 51 - 100 of 245 Results

  • Genreith-Schriever, Annalena R.; de Souza, Roger
    Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
    Physical review / B, 94, 22, 224304 (2016)
    [DOI: 10.1103/PhysRevB.94.224304]
  • Funck, Carsten Marco; Schmidt, Peter; Martin, Manfred; Menzel, Stephan
    Origin and Influence of the Electronic Current in thin Oxide Resistive Switching Layers
    Bunsen Kolloquium Defects and Diffusion Solids Aachen 2016-11-10 - 2016-11-11 (2016)
  • Braun, Efrem; Zurhelle, Alexander; Thijssen, Wouter; Schnell, Sondre K.; Lin, Li-Chiang; Kim, Jihan; Thompson, Joshua A.; Smit, Berend
    High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas
    Molecular systems design & engineering, 1, 2, 175-188 (2016)
    [DOI: 10.1039/C6ME00043F]
  • Ramadan, Amr Hazem Helmy; de Souza, Roger
    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, R. A.; Krause, H.; Ebbinghaus, S. G.; Martin, M.
    Oxygen transport in undoped and doped mayenite
    Solid state ionics, 284, 25-27 (2016)
    [DOI: 10.1016/j.ssi.2015.11.024]
  • Ramadan, Amr Hazem Helmy
    Simulation studies of extended defects in the model system of the functional oxide strontium titanate
    , 1 Online-Ressource (III, 114 Seiten) : Illustrationen, Diagramme (2016)
  • Gunkel, Felix; Waser, Rainer; Ramadan, Amr Hazem Helmy; De Souza, Roger A.; Hoffmann-Eifert, Susanne; Dittmann, Regina
    Space charges and defect concentration profiles at complex oxide interfaces
    Physical review / B, 93, 24, 245431 (2016)
    [DOI: 10.1103/PhysRevB.93.245431]
  • Grieshammer, Steffen; Nakayama, Masanobu; Martin, Manfred
    Association of defects in doped non-stoichiometric ceria from first principles
    Physical chemistry, chemical physics : PCCP, 18, 5, 3804-3811 (2016)
    [DOI: 10.1039/C5CP07537H]
  • Kura, Chiharu; Aoki, Yoshitaka; Tsuji, Etsushi; Habazaki, Hiroki; Martin, Manfred
    Fabrication of a resistive switching gallium oxide thin film with a tailored gallium valence state and oxygen deficiency by rf cosputtering process
    RSC Advances, 6, 11, 8964-8970 (2016)
    [DOI: 10.1039/C5RA21160C]
  • Rupp, Jennifer L. M.; de Souza, Roger; Preis, Wolfgang; Kelder, Eric M.
    The E-MRS Conference, Symposium C "Solid State Ionics: Thin Films for Energy and Information Applications" : [... Lille, France, May 26th to 30th, 2014]
    Solid state ionics, 273, 70 S. (2015)
  • Ganguly, Bichitra Nandi; Dutta, Sreetama; Roy, Soma; Röder, Jens; Johnston, Karl; Martin, Manfred; ISOLDE-Collaboration
    Investigation on structural aspects of ZnO nano-crystal using radio-active ion beam and PAC
    Nuclear instruments & methods in physics research / B, 362, 103-109 (2015)
    [DOI: 10.1016/j.nimb.2015.08.098]
  • Liffmann, R.; Homberger, Melanie; Mennicken, M.; Karthäuser, S.; Simon, Ulrich
    Polydiacetylene stabilized gold nanoparticles - extraordinary high stability and integration into a nanoelectrode device
    RSC Advances, 5, 125, 102981-102992 (2015)
    [DOI: 10.1039/C5RA17545C]
  • Mebane, David S.; De Souza, Roger A.
    A generalised space-charge theory for extended defects in oxygen-ion conducting electrolytes: from dilute to concentrated solid solutions
    Energy & environmental science, 8, 10, 2935-2940 (2015)
    [DOI: 10.1039/C5EE02060C]
  • Beckers, Thomas; Nagarajan, Lakshmi; Martin, Manfred
    Radiotracer diffusion of 114mIn in Cu(In,Ga)Se2 thin films
    Thin solid films, 592, 118-123 (2015)
    [DOI: 10.1016/j.tsf.2015.09.001]
  • De Souza, Roger A.
    Oxygen Diffusion in SrTiO 3 and Related Perovskite Oxides
    Advanced functional materials, 25, 40, 6326-6342 (2015)
    [DOI: 10.1002/adfm.201500827]
  • Beschnitt, Stefan; Zacherle, Tobias; De Souza, Roger A.
    Computational Study of Cation Diffusion in Ceria
    The journal of physical chemistry / C, 119, 49, 27307-27315 (2015)
    [DOI: 10.1021/acs.jpcc.5b09499]
  • Ramadan, Amr H. H.; Hesselmann, Linda; De Souza, Roger A.
    The phase stability of Ca2TiO4 and related Ruddlesden–Popper phases
    Journal of physics and chemistry of solids, 86, 90-94 (2015)
    [DOI: 10.1016/j.jpcs.2015.06.022]
  • Grope, Benjamin O. H.
    Die Entwicklung eines allgemeinen Kinetik-Monte-Carlo-Frameworks zur Diffusion in Festkörpern
    , 1 Online-Ressource (166 Seiten) : Illustrationen, Diagramme (2015)
  • Metlenko, Veronika
    Sauerstofftransporteigenschaften von SrTiO3-basierten Verbindungen mit Bikristallinen- und Dünnschichtgeometrien
    , 1 Online-Ressource (132 Seiten) : Illustrationen, Diagramme (2015)
  • The, De-Niang
    Identifizierung, Charakterisierung und Interpretation der Zelldegradation von Hochtemperatur-Elektrolysezellen im Langzeitbetrieb
    , 1 Online-Ressource (133 Seiten) : Illustrationen, Diagramme (2015)
  • Kessel, Markus; De Souza, Roger A.; Martin, Manfred
    Oxygen diffusion in single crystal barium titanate
    Physical chemistry, chemical physics, 17, 19, 12587-12597 (2015)
    [DOI: 10.1039/C5CP01187F]
  • Teusner, Markus; De Souza, Roger; Krause, Holger; Ebbinghaus, Stefan G.; Belghoul, Badreddine; Martin, Manfred
    Oxygen Diffusion in Mayenite
    The journal of physical chemistry , 119, 18, 9721-9727 (2015)
    [DOI: 10.1021/jp512863u]
  • Falkenstein, Andreas; Mueller, David N.; De Souza, Roger A.; Martin, Manfred
    Chemical relaxation experiments on mixed conducting oxides with large stoichiometry deviations
    Solid state ionics, 280, 66-73 (2015)
    [DOI: 10.1016/j.ssi.2015.07.023]
  • Rupp, Jennifer L. M.; De Souza, Roger A.; Lubomirsky, Igor; Preis, Wolfgang; Kelder, Erik M.
    EMRS 2014 Solid State Ionics issue
    Solid state ionics, 273, 1-1 (2015)
    [DOI: 10.1016/j.ssi.2015.03.031]
  • Schraknepper, Henning; Bäumer, Christoph; Dittmann, Regina; De Souza, Roger A.
    Complex behaviour of vacancy point-defects in SrRuO3 thin films
    Physical chemistry, chemical physics, 17, 2, 1060-1069 (2014)
    [DOI: 10.1039/C4CP03632H]
  • Schraknepper, Henning
    Defect chemical Investigations of the all-oxide SrRuO$_3$|SrTiO$_3$ heterostructure
    , X, 113 S. : Ill., zahlr. graph. Darst. (2015)
  • Grieshammer, Steffen Paul
    Atomistic and macroscopic simulation of solid oxide electrolytes and electrolyzer cells
    , IV, 229 S. : graph. Darst. (2015)
  • The, D.; Grieshammer, S.; Schroeder, M.; Martin, M.; Al Daroukh, M.; Tietz, F.; Schefold, J.; Brisse, A.
    Microstructural comparison of solid oxide electrolyser cells operated for 6100 h and 9000 h
    Journal of power sources, 275, 901-911 (2015)
    [DOI: 10.1016/j.jpowsour.2014.10.188]
  • Yoo, Han-Ill; Martin, Manfred; Janek, Juergen
    Comment on 'How to interpret Onsager cross terms in mixed ionic electronic conductors' by I. Riess, Phys. Chem. Chem. Phys., 2014, 16 , 22513
    Physical chemistry, chemical physics, 17, 16, 11103-11106 (2015)
    [DOI: 10.1039/C4CP05737F]
  • Du, Hongchu; Jia, Chun-Lin; Houben, Lothar; Metlenko, Veronika; De Souza, Roger A.; Waser, Rainer; Mayer, Joachim
    Atomic structure and chemistry of dislocation cores at low-angle tilt grain boundary in SrTiO3 bicrystals
    Acta materialia, 89, 344-351 (2015)
    [DOI: 10.1016/j.actamat.2015.02.016]
  • De Souza, Roger
    Introduction to the special issue on defects and transport in complex oxides
    Computational materials science, 103, 205- (2015)
    [DOI: 10.1016/j.commatsci.2015.04.007]
  • Vøllestad, Einar; Teusner, Markus; De Souza, Roger A.; Haugsrud, Reidar
    Diffusion of Nd and Mo in lanthanum tungsten oxide
    Solid state ionics, 274, 128-133 (2015)
    [DOI: 10.1016/j.ssi.2015.03.011]
  • Chun, Jakyu; Martin, Manfred; Yoo, Han-Ill
    Electrotransport-induced unmixing and decomposition of ternary oxides
    Journal of applied physics, 117, 12, 124504- (2015)
    [DOI: 10.1063/1.4915626]
  • Teusner, Markus
    Untersuchung der Sauerstoff- und Calcium-Tracerdiffusion in Mayenit - 2015-07-03
    , 107 S. : Ill., graph Darst. (2015)
  • Niepel, Timo S. G.; Jochum, Klaus P.
    Neue Untersuchungen an biogenen und synthetischen Gläsern mit fs-Laserablations-ICP-Massenspektrometrie 2013-11-01 -
    , 43 Seiten : Illustrationen, Diagramme (2014)
  • Metlenko, Veronika; Ramadan, Amr H. H.; Gunkel, Felix; Du, Hongchu; Schraknepper, Henning; Hoffmann-Eifert, Susanne; Dittmann, Regina; Waser, Rainer; De Souza, Roger
    Do dislocations act as atomic autobahns for oxygen in the perovskite oxide SrTiO3?
    Nanoscale, 6, 21, 12864-12876 (2014)
    [DOI: 10.1039/c4nr04083j]
  • Jang, Hyejin; Brendt, Jochen; Patro, Laxmi N.; Martin, Manfred; Yoo, Han-Ill
    Unexpected thermoelectric behavior and immiscibility of the allegedly complete solid solution Sr(Ru1-xTix)O-3
    Physical review / B, Condensed matter and materials physics, 89, 14, 144107 (2014)
    [DOI: 10.1103/PhysRevB.89.144107]
  • Schie, Marcel; Waser, Rainer; De Souza, Roger
    A Simulation Study of Oxygen-Vacancy Behavior in Strontium Titanate: Beyond Nearest-Neighbor Interactions
    The journal of physical chemistry / C, 118, 28, 15185-15192 (2014)
    [DOI: 10.1021/jp504436t]
  • De Souza, Roger; Gunkel, Felix; Hoffmann-Eifert, Susanne; Dittmann, Regina
    Finite-size versus interface-proximity effects in thin-film epitaxial SrTiO3
    Physical review / B, Condensed matter and materials physics, 89, 24, 241401 (2014)
    [DOI: 10.1103/PhysRevB.89.241401]
  • Grieshammer, Steffen; Grope, Benjamin O. H.; Köttgen, Julius Rütger; Martin, Manfred
    A combined DFT plus U and Monte Carlo study on rare earth doped ceria
    Physical chemistry, chemical physics : PCCP, 16, 21, 9974-9986 (2014)
    [DOI: 10.1039/c3cp54811b]
  • Aoki, Yoshitaka; Wiemann, Carsten; Feyer, Vitaliy; Kim, Hong-Seok; Schneider, Claus M.; Ill-Yoo, Han; Martin, Manfred
    Bulk mixed ion electron conduction in amorphous gallium oxide causes memristive behaviour
    Nature communications, 5, 3473 (2014)
    [DOI: 10.1038/ncomms4473]
  • Leichtweiss, Thomas; Henning, Ralph A.; Köttgen, Julius Rütger; Schmidt, Rüdiger Matti; Holländer, Bernd; Martin, Manfred; Wuttig, Matthias; Janek, Jürgen
    Amorphous and highly nonstoichiometric titania (TiOx) thin films close to metal-like conductivity
    Journal of materials chemistry / A, Materials for energy and sustainability, 2, 18, 6631-6640 (2014)
    [DOI: 10.1039/c3ta14816e]
  • Escolastico, Sonia; Schroeder, Michael; Serra, Jose M.
    Optimization of the mixed protonic-electronic conducting materials based on (Nd(5/6)Ln(1/6)5.5)WO(11.25-delta)
    Journal of materials chemistry / A, Materials for energy and sustainability, 2, 18, 6616-6630 (2014)
    [DOI: 10.1039/c3ta14324d]
  • De Souza, Roger; Voisin, Christophe; Schraknepper, Henning; Teusner, Markus; Kessel, Markus Franz; Dufour, Pascal; Tenailleau, Christophe; Guillemet-Fritsch, Sophie
    Complex diffusion behavior of oxygen in nanocrystalline BaTiO3 ceramics
    Physical chemistry, chemical physics : PCCP, 16, 6, 2568-2575 (2014)
    [DOI: 10.1039/c3cp53979b]
  • Li, Ming; Pietrowski, Martha Joanna; De Souza, Roger; Zhang, Huairuo; Reaney, Ian M.; Cook, Stuart N.; Kilner, John A.; Sinclair, Derek C.
    A family of oxide ion conductors based on the ferroelectric perovskite Na0.5Bi0.5TiO3
    Nature materials, 13, 1, 31-35 (2014)
    [DOI: 10.1038/NMAT3782]
  • Liu, Milias
    Investigations on the influence of oxygen non-stoichiometry on structure, stability and properties of hafnium oxide thin films
    , 157 S. : graph. Darst. (2014)
  • Martin, M.; Zacherle, T.; Schriever, A.; De Souza, Roger; Grieshammer, S.
    Ab initio Calculation of the Defect Structure of Ceria
    Solid oxide fuel cells 13 (SOFC-XIII) : [papers presented at the Thirteenth International Symposium on Solid Oxide Fuel Cells (SOFC-XIII), held in Okinawa, Japan, October 6 - 11, 2013] / sponsoring division: High Temperature Materials. Ed.: T. Kawada ..., 2405-2410 (2013)
    [DOI: 10.1149/05701.2405ecst]
  • Pietrowski, M. J.; De Souza, R. A.; Fartmann, M.; ter Veen, R.; Martin, M.
    Oxygen Isotope Transport Properties of Yttria-Stabilized Zirconia (YSZ) in O-2(-) and H2O-Containing Atmospheres
    Fuel Cells, 13, 5, 673-681 (2013)
    [DOI: 10.1002/fuce.201300087]
  • Ramadan, Amr; Allan, Neil L.; De Souza, Roger
    Simulation Studies of the Phase Stability of the Srn+1TinO3n+1 Ruddlesden-Popper Phases
    Journal of the American Ceramic Society, 96, 7, 2316-2321 (2013)
    [DOI: 10.1111/jace.12300]
  • Hinterberg, Judith Maria; Adams, Alina; Blümich, Bernhard; Heitjans, Paul; Kim, Sangtae; Munir, Zuhair A.; Martin, Manfred
    1 H-NMR measurements of proton mobility in nano-crystalline YSZ
    Physical chemistry, chemical physics : PCCP, 15, 45, 19825-19830 (2013)
    [DOI: 10.1039/c3cp53039f]