Publications (20)
Water oxidation catalysis on reconstructed NaTaO$_3$ (001) surfaces
Hassan Ouhbi, Ulrich Aschauer
Reaction of O2 with Subsurface Oxygen Vacancies on TiO2 Anatase (101)
Martin Setvin, Ulrich Aschauer, Philipp Scheiber +5
Anion-order driven polar interfaces at LaTiO$_2$N surfaces
Silviya Ninova, Ulrich Aschauer
Bulk and surface properties of the Ruddlesden-Popper oxynitride Sr$_2$TaO$_3$N
Maria Bouri, Ulrich Aschauer
Anion order and spontaneous polarization in LaTiO\textsubscript{2}N oxynitride thin films
Nathalie Vonrüti, Ulrich Aschauer
Effect of epitaxial strain on cation and anion vacancy formation in MnO
Ulrich Aschauer, Nathalie Vonrüti, Nicola A. Spaldin
Self-consistent site-dependent DFT+$U$ study of stoichiometric and defective SrMnO$_3$
Chiara Ricca, Iurii Timrov, Matteo Cococcioni +2
Quantum critical origin of the superconducting dome in SrTiO$_3$
Jonathan M. Edge, Yaron Kedem, Ulrich Aschauer +2
Band-gap engineering in AB(O$_x$S$_{1-x}$)$_{3}$ perovskite oxysulfides: A route to strongly polar materials for photocatalytic water splitting
Nathalie Vonrüti, Ulrich Aschauer
Strain-induced heteronuclear charge disproportionation in EuMnO$_3$
Ulrich Aschauer, Nathalie Vonrüti, Nicola A. Spaldin
LaTiOxNy thin film model systems for photocatalytic water splitting: physicochemical evolution of the solid-liquid interface and the role of the crystallographic orientation
Markus Pichler, Wenping Si, Fatima Haydous +10
Competition and cooperation between antiferrodistortive and ferroelectric instabilities in SrTiO$_3$
Ulrich Aschauer, Nicola A. Spaldin
Strain controlled oxygen vacancy formation and ordering in CaMnO$_3$
Ulrich Aschauer, Reto Pfenninger, Sverre M. Selbach +2
Water Oxidation Chemistry of Oxynitrides and Oxides: Comparing NaTaO$_3$ and SrTaO$_2$N
Hassan Ouhbi, Ulrich Aschauer
Nitrogen loss and oxygen evolution reaction activity of perovskite oxynitrides
Hassan Ouhbi, Ulrich Aschauer
Epitaxial Strain-Dependence of Band Gaps in Oxynitrides compared to Oxides
Nathalie Vonrüti, Ulrich Aschauer
Interplay between strain, defect charge state and functionality in complex oxides
Ulrich Aschauer, Nicola A. Spaldin
(Sub)surface mobility of oxygen vacancies at the TiO$_2$ anatase (101) surface
Philipp Scheiber, Martin Fidler, Olga Dulub +5
Strain-induced structural instability in FeRh
Ulrich Aschauer, Roisin Braddell, Sonia A. Brechbühl +2
Density functional theory study of the oxygen evolution activity on Sr$_2$TaO$_3$N surfaces
Maria Bouri, Ulrich Aschauer