Usler, Adrian Leonhard; De Souza, Roger
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; 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.; Neitzel-Grieshammer, Steffen Paul
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; Neitzel-Grieshammer, Steffen Paul
The effect of ionic defect interactions on the hydration of yttrium-doped barium zirconate
Physical chemistry, chemical physics : PCCP, 23, 8, 4882-4891 (2021)
[DOI: 10.1039/D0CP06587K]

Wollstadt, Stephan; De Souza, Roger; 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; 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
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
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; 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]