U. Aschauer

activity

20172020

most citedLaTiOxNy thin film model systems for photocatalytic water splitting: physicochemical evolution of the solid-liquid interface and the role of the crystallographic orientation

49 citations · 88 across the 7 of their papers we have counts for

collaborators

8 papers

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

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…

cond-mat.mtrl-sci2019

Density functional theory study of the oxygen evolution activity on Sr $_{2}$ TaO $_{3}$ N surfaces

Maria Bouri, Ulrich Aschauer

Solar water splitting has attracted much attention as a clean and renewable route to produce hydrogen fuel. Since the oxygen evolution half-reaction (OER) requires high overpotenti…

cond-mat.mtrl-sci2019

Nitrogen loss and oxygen evolution reaction activity of perovskite oxynitrides

Hassan Ouhbi, Ulrich Aschauer

Perovskite oxynitride photocatalysts were reported by experiment to evolve small amounts of N $_{2}$ due to the self-oxidation of nitrogen ions by photo-generated holes. The N $_{2}$ evo…

cond-mat.mtrl-sci2019

Water oxidation catalysis on reconstructed NaTaO $_{3}$ (001) surfaces

Hassan Ouhbi, Ulrich Aschauer

Polar perovskite oxide surfaces are subject to structural reconstruction as a possible stabilisation mechanisms, which changes the surface structure and hence the surface chemistry…

cond-mat.mtrl-sci2019★ 1 cited

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

Polar heterogeneous photocatalysts were shown to lead to enhanced charge-carrier separation that results in superior activity for example for photocatalytic water splitting. Promis…

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

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

Density functional theory study of the oxygen evolution activity on Sr2​TaO3​N surfaces

Nitrogen loss and oxygen evolution reaction activity of perovskite oxynitrides

Water oxidation catalysis on reconstructed NaTaO3​ (001) surfaces

Band-gap engineering in AB(Ox​S1−x​)3​ perovskite oxysulfides: A route to strongly polar materials for photocatalytic water splitting

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

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

Density functional theory study of the oxygen evolution activity on Sr $_{2}$ TaO $_{3}$ N surfaces

Water oxidation catalysis on reconstructed NaTaO $_{3}$ (001) surfaces

Band-gap engineering in AB(O $_{x}$ S $_{1 - x}$ ) $_{3}$ perovskite oxysulfides: A route to strongly polar materials for photocatalytic water splitting