Neitzel-Grieshammer, Steffen Paul
First principles approach for promising oxide ion conducting AB Ga 3 O 7 melilite structures
Physical chemistry, chemical physics, 25, 9, 7028 - 7031 (2023)
[DOI: 10.1039/D2CP05978A]

De Souza, Roger; Kemp, Dennis.; Wolf, Matthew J.; Ramadan, Amr Hazem Helmy
Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX(3) Perovskite Halides May Be Unreliable: A Case Study of Methylammonium Lead Jodide
The journal of physical chemistry letters, 13, 49, 11363-11368 (2022)
[DOI: 10.1021/acs.jpclett.2c0298411363]

Schultze, Tim Konrad; Schütt, Judith; Knappe, Marisa; Neitzel-Grieshammer, Steffen Paul
Theoretical Modeling of Oxide Ion Conductivity in Doped LaSrGa 3 O 7 Melilites
The journal of physical chemistry / C, 126, 50, 21375-21380 (2022)
[DOI: 10.1021/acs.jpcc.2c05768]

Kler, Joe; Börgers, Jacqueline Marie; De Souza, Roger
Surface Space-Charge Potential and Oxygen Surface Exchange Coefficient of SrTiO3: The Effect of Surface Orientation
Advanced materials interfaces, 2201434 (2022)
[DOI: 10.1002/admi.202201434]

De Souza, Roger; Kemp, Dennis; Wolf, Matthew J.; Ramadan, Amr Hazem Helmy
Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX3 Perovskite Halides May Be Unreliable : A Case Study of Methylammonium Lead Iodide
The journal of physical chemistry letters, 13, 49, 11363-11368 (2022)
[DOI: 10.1021/acs.jpclett.2c02984]

Ardenghi, A.; Bierwagen, O.; Falkenstein, Andreas; Hoffmann, G.; Lähnemann, J.; Martin, Manfred; Mazzolini, P.
Toward controllable Si-doping in oxide molecular beam epitaxy using a solid SiO source : Application to β-Ga2O3 editors-pick
Applied physics letters, 121, 4, 042109 (2022)
[DOI: 10.1063/5.0087987]

Ahr, Nadja Marie
Hebb-Wagner polarization of oxides
(2022)
[DOI: 10.18154/RWTH-2022-10810]

Chiabrera, Francesco M.; Baiutti, Federico; Börgers, Jacqueline Marie; Harrington, George F.; Yedra, Lluís; Liedke, Maciej O.; Kler, Joe; Nandi, Pranjal; Sirvent, Juan de Dios; Santiso, Jose; López-Haro, Miguel; Calvino, José J.; Estradé, Sonia; Butterling, Maik; Wagner, Andreas; Peiró, Francesca; De Souza, Roger; Tarancón, Albert
The impact of Mn nonstoichiometry on the oxygen mass transport properties of La0.8Sr0.2MnyO3±δ thin films
JPhys energy, 4, 4, 044011 (2022)
[DOI: 10.1088/2515-7655/ac98df]

Nietsch, Jürgen Andreas; Gouverneur, Moritz; Schwab, Christian; Bailly, David; Martin, Manfred; Hirt, Gerhard
Bonding Experiments at Elevated Temperatures: The Effect of the Sample Storage Time on the Bond Strength of Metals
Steel research international, 2200462 (2022)
[DOI: 10.1002/srin.202200462]

Kler, Joe
Ion transport across phase boundaries in strontium titanate
(2022)
[DOI: 10.18154/RWTH-2022-09778]

Schütt, Judith; Pescher, Fiona; Neitzel-Grieshammer, Steffen Paul
The origin of high Na+ ion conductivity in Na1+xZr2SixP3−xO12 NASICON materials
Physical chemistry, chemical physics : PCCP, 24, 36, 22154-22167 (2022)
[DOI: 10.1039/D2CP03621E]

Hou, Hui; Mariani, Alessandro; Suo, Yanpeng; Gao, Xinpei; Giffin, Jürgen; Rodenbücher, Christian; Passerini, Stefano; Korte, Carsten
Tuning Polybenzimidazole Membrane by Immobilizing a Novel Ionic Liquid with Superior Oxygen Reduction Reaction Kinetics
Chemistry of materials, 34, 10, 4298-4310 (2022)
[DOI: 10.1021/acs.chemmater.1c03819]

Nickel, Anne Catherine; Kratzenberg, Timon Lorenz Josef; Bochenek, Steffen; Schmidt, Maximilian; Rudov, Andrey A.; Falkenstein, Andreas; Potemkin, Igor I.; Crassous, Jérôme Joseph Emile; Richtering, Walter
Anisotropic Microgels Show Their Soft Side
Langmuir : the ACS journal of surfaces and colloids, 38, 17, 5063-5080 (2021)
[DOI: 10.1021/acs.langmuir.1c01748]

Draber, Fabian Michael; Denninger, Johannes R.; Müller, Peter C.; Sommerfeld, Isabel K.; Martin, Manfred
The Impact of Nanoscale Percolation in Yttrium-Doped BaZrO3 on the Oxygen Ion and Proton Conductivities : A Density Functional Theory and Kinetic Monte Carlo Study
Advanced energy & sustainability research, 3, 8, 2200007 (2022)
[DOI: 10.1002/aesr.202200007]

Kler, Joe; De Souza, Roger
Hydration Entropy and Enthalpy of a Perovskite Oxide from Oxygen Tracer Diffusion Experiments
The journal of physical chemistry letters, 13, 18, 4133-4138 (2022)
[DOI: 10.1021/acs.jpclett.2c00970]

Kemp, Dennis; Tarancón, Albert; De Souza, Roger
Recipes for superior ionic conductivities in thin-film ceria-based electrolytes
Physical chemistry, chemical physics : PCCP, 24, 21, 12926-12936 (2022)
[DOI: 10.1039/d2cp01335e]

Mann, Markus; Schwab, Christian; Ihrig, Martin; Finsterbusch, Martin; Martin, Manfred; Guillon, Olivier; Fattakhova-Rohlfing, Dina
Anhydrous LiNbO$_ {3}$ Synthesis and Its Application for Surface Modification of Garnet Type Li-Ion Conductors
Journal of the Electrochemical Society : JES, 169, 4, 040564 (2022)
[DOI: 10.1149/1945-7111/ac6836]

Hou, Hui
Investigation of the physical and electrochemical properties of ionic liquid suitable for a future use as fuel cell electrolyte for operation > 100 °C
(2022)
[DOI: 10.18154/RWTH-2022-03853]

Mroz, Damian Patrick; Wang, Ruimin; Paulmann, Carsten; Englert, Ulli; Dronskowski, Richard
Temperature-Resolved Anisotropic Displacement Parameters from Theory and Experiment: A Case Study
Crystals : open access journal, 12, 2, 283 (2022)
[DOI: 10.3390/cryst12020283]

Lin, Jingjing
Investigation of the proton transport and the interaction between ionic liquids and ionogene PBI-type polymers
(2022)
[DOI: 10.18154/RWTH-2022-02742]

Belthle, Kendra Solveig; Gries, Ute; Müller, Michael Patrick; Kemp, Dennis; Prakash, Abhinav; Rose, Marc-André; Börgers, Jacqueline M.; Jalan, Bharat; Gunkel, Felix; De Souza, Roger
Quantitative Determination of Native Point‐Defect Concentrations at the ppm Level in Un‐Doped BaSnO$_{3}$ Thin Films
Advanced functional materials, 32, 19, 2113023 (2022)
[DOI: 10.1002/adfm.202113023]

Skinner, Stephen J.; Birss, Viola; Rupp, Jennifer; De Souza, Roger
Introduction to the special issue in honour of Prof. John Kilner’s 75th birthday
Journal of materials chemistry / A, 10, 5, 2149-2151 (2022)
[DOI: 10.1039/D2TA90015G]

Momenzadeh, Leila; Neitzel-Grieshammer, Steffen Paul; Belova, Irina V.; Murch, Graeme E.
An overview of thermotransport in fluorite-related ionic oxides
Zeitschrift für physikalische Chemie, 236, 6-8, 1103-1124 (2021)
[DOI: 10.1515/zpch-2021-3107]

Schultze, Tim Konrad
Oxide ion transport in Lanthanum-rich apatite and melilite structures
(2022)
[DOI: 10.18154/RWTH-2022-01046]

Wardenga, Hans F.; Schuldt, Katharina N. S.; Waldow, Stephan Peter; De Souza, Roger; Klein, Andreas
Surface potentials of acceptor- and donor-doped CeO 2 thin films and their relation to oxygen surface exchange
Physical chemistry, chemical physics : PCCP, 24, 2, 1072-1080 (2021)
[DOI: 10.1039/D1CP03776E]

Zurhelle, Alexander Friedrich; Stehling, Wilhelm; Waser, Rainer; De Souza, Roger; Menzel, Stephan
Oxygen Diffusion in Platinum Electrodes : A Molecular Dynamics Study of the Role of Extended Defects
Advanced materials interfaces, 10, 2101257 (2021)
[DOI: 10.1002/admi.202101257]

Robens, Elisabeth; Rauschen, Robert; Kaub, Johannes; Parras, Jana Patricia; Kemp, Dennis; Freeman, Colin L.; De Souza, Roger
Perovskite crystal symmetry and oxygen-ion transport: a molecular-dynamics study of perovskite
Journal of materials chemistry / A, 10, 5, 2388-2397 (2021)
[DOI: 10.1039/D1TA06293J]

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]

Eigen, Julian
Investigation of iron based redox masses for rechargeable oxide batteries
(2021)
[DOI: 10.18154/RWTH-2022-02660]

Lin, Jingjing; Noferini, Daria; Veroutis, Emmanouil; Korte, Carsten; Holderer, Olaf
The charge transport mechanism in Brønsted-acidic protic ionic liquid/water systems : An NMR and QENS study
Journal of molecular liquids, 343, 117712 (2021)
[DOI: 10.1016/j.molliq.2021.117712]

Eisele, Sebastian
Development and application of a generic Monte Carlo simulation framework for defect transport in crystalline solid electrolytes
(2021)
[DOI: 10.18154/RWTH-2021-11223]

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

Roßbach, Andreas
Leitungs- und Diffusionseigenschaften Alkali-Ionen-leitender NASICON-Materialien für den Einsatz in Festkörperbatterien
(2021)
[DOI: 10.18154/RWTH-2021-10665]

Kemp, Dennis; De Souza, Roger
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; 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
Faster Diffusion of Oxygen Along Dislocations in (La,Sr)MnO$_{3+δ}$ Is a Space-Charge Phenomenon
Advanced functional materials, 31, 51, 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, 14384 (2021)
[DOI: 10.1038/s41598-021-93777-6]

De Souza, Roger
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 Patricia; Feldmann, Gereon; De Souza, Roger
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 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]