U. Aschauer

activity

20132023

most citedReaction of O2 with Subsurface Oxygen Vacancies on TiO2 Anatase (101)

568 citations · 2.2k across the 37 of their papers we have counts for

collaborators

Showing 2020Show all

3 papers · 1 filter

cond-mat.mtrl-sci2020

Suitability of $β$ -Mn $_{2}$ V $_{2}$ O $_{7}$ / $β$ -Cu $_{2}$ V $_{2}$ O $_{7}$ solid solutions for photocatalytic water-splitting

Silviya Ninova, Michal Strach, Raffaella Buonsanti +1

The pyrovanadates $β$ -Mn $_{2}$ V $_{2}$ O $_{7}$ and $β$ -Cu $_{2}$ V $_{2}$ O $_{7}$ were previously investigated as photoanode materials for water splitting. Neither of them, however, was found to be…

cond-mat.mtrl-sci2020★ 15 cited

Local polarization in oxygen-deficient LaMnO $_{3}$ induced by charge localization in the Jahn-Teller distorted structure

Chiara Ricca, Nicolas Niederhauser, Ulrich Aschauer

The functional properties of transition metal perovskite oxides are known to result from a complex interplay of magnetism, polarization, strain, and stoichiometry. Here, we show th…

cond-mat.mtrl-sci2020★ 4 cited

Self-consistent DFT+ $U$ + $V$ study of oxygen vacancies in SrTiO $_{3}$

Chiara Ricca, Iurii Timrov, Matteo Cococcioni +2

Contradictory theoretical results for oxygen vacancies in SrTiO $_{3}$ (STO) were often related to the peculiar properties of STO, which is a $d^{0}$ transition metal oxide with mixed i…

Suitability of β-Mn2​V2​O7​/β-Cu2​V2​O7​ solid solutions for photocatalytic water-splitting

Local polarization in oxygen-deficient LaMnO3​ induced by charge localization in the Jahn-Teller distorted structure

Self-consistent DFT+U+V study of oxygen vacancies in SrTiO3​

Suitability of $β$ -Mn $_{2}$ V $_{2}$ O $_{7}$ / $β$ -Cu $_{2}$ V $_{2}$ O $_{7}$ solid solutions for photocatalytic water-splitting

Local polarization in oxygen-deficient LaMnO $_{3}$ induced by charge localization in the Jahn-Teller distorted structure

Self-consistent DFT+ $U$ + $V$ study of oxygen vacancies in SrTiO $_{3}$