Chen, Yingzhen; Endres, Manuel B.; Giffin, Jürgen; Korte, Carsten
Investigation of the protolytic equilibrium of a highly Brønsted acidic ionic liquid and residual water using Raman spectroscopy
Journal of molecular liquids, 345, 117796 (2021)
[DOI: 10.1016/j.molliq.2021.117796]

Schwab, Christian; Schraknepper, Henning; De Souza, Roger A.
Oxygen transport in single-crystal LaAlO 3 substrates
Physical review materials, 5, 10, 105001 (2021)
[DOI: 10.1103/PhysRevMaterials.5.105001]

Kemp, Dennis; De Souza, Roger A.
Nonlinear ion mobility at high electric field strengths in the perovskites SrTiO3 and CH3NH3PbI3
Physical review materials, 5, 10, 105401 (2021)
[DOI: 10.1103/PhysRevMaterials.5.105401]

Eigen, Julian; Rutjens, B. P.; Schröder, Malte
Partial redox cycling of composite storage materials for rechargeable oxide batteries
Journal of energy storage, 43, 103161 (2021)
[DOI: 10.1016/j.est.2021.103161]

Qiao, Xianji; Chen, Kaixuan; Corkett, Alex J.; Mroz, Damian Patrick; Huang, Xiaoying; Wang, Ruimin; Nelson, Ryky; Dronskowski, Richard
Synthesis, Crystal Structure, Symmetry Relationships, and Electronic Structure of Bismuth Carbodiimide Bi2(NCN)3 and Its Ammonia Adduct Bi2(NCN)3·NH3
Inorganic chemistry, 60, 17, 12664-12670 (2021)
[DOI: 10.1021/acs.inorgchem.1c02177]

Suo, Yanpeng; Hou, Hui; Lin, Jingjing; Chen, Yingzhen; Liu, Chang; Wang, Ce; Schulz, Peter S.; Wippermann, Klaus; Korte, Carsten
Binary Mixtures of Proton-Conducting Ionic Liquids as Electrolytes for Medium-Temperature Polymer Electrolyte Membrane Fuel Cells
The journal of physical chemistry / C, 125, 39, 21588-21594 (2021)
[DOI: 10.1021/acs.jpcc.1c05151]

Lin, Jingjing; Willbold, Sabine; Zinkevich, Tatiana; Indris, Sylvio; Korte, Carsten
Ionic (Proton) transport and molecular interaction of ionic Liquid–PBI blends for the use as electrolyte membranes
Journal of molecular liquids, 342, 116964 (2021)
[DOI: 10.1016/j.molliq.2021.116964]

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, 37, 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]

Ader, Christiane; Falkenstein, Andreas; Martin, Manfred
Transition between bipolar and abnormal bipolar resistive switching in amorphous oxides with a mobility edge
Scientific reports, 11, 1, 14384 (2021)
[DOI: 10.1038/s41598-021-93777-6]

De Souza, Roger A.
Transport properties of dislocations in SrTiO3 and other perovskites
Current opinion in solid state & materials science, 25, 4, 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, 11, 5946-5954 (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.; 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 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; 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, 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; 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 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; 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; 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.; 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]