2022
Vonrüti, Nathalie; Rao, Reshma; Giordano, Livia; Shao-Horn, Yang; Aschauer, Ulrich
(2022).
Implications of Nonelectrochemical Reaction Steps on the Oxygen Evolution Reaction: Oxygen Dimer Formation on Perovskite Oxide and Oxynitride Surfaces.
ACS Catalysis, 12(2), pp. 1433-1442.
American Chemical Society
10.1021/acscatal.1c03308
2021
Bouri, Maria; Ninova, Silviya; Ouhbi, Hassan; Vonrüti, Nathalie; Aschauer, Ulrich
(2021).
Surface Chemistry of Perovskite Oxynitride Photocatalysts: A Computational Perspective.
CHIMIA, 75(3), pp. 202-207.
Schweizerische Chemische Gesellschaft
10.2533/chimia.2021.202
2020
Vonrüti, Nathalie; Aschauer, Ulrich
(2020).
Catalysis on oxidized ferroelectric surfaces—Epitaxially strained LaTiO₂N and BaTiO₃ for photocatalytic water splitting.
The Journal of Chemical Physics, 152(2), 024701.
American Institute of Physics
10.1063/1.5135751
2019
Aschauer, Ulrich Johannes; Vonrüti, Nathalie Simone; Spaldin, Nicola A.
(2019).
Strain-induced heteronuclear charge disproportionation in EuMnO₃.
Physical review materials, 3(1), 013601.
American Physical Society
10.1103/PhysRevMaterials.3.013601
Vonrüti, Nathalie Simone; Aschauer, Ulrich Johannes
(2019).
Band-gap engineering in AB(OxS1−x)₃ perovskite oxysulfides: a route to strongly polar materials for photocatalytic water splitting.
Journal of materials chemistry. A, 7(26), pp. 15741-15748.
Royal Society of Chemistry
10.1039/C9TA03116B
Vonrüti, Nathalie; Aschauer, Ulrich
(2019).
The role of metastability in enhancing water-oxidation activity.
Physical Chemistry Chemical Physics, 21(44), pp. 24354-24360.
Royal Society of Chemistry
10.1039/C9CP04859F
2018
Vonrüti, Nathalie Simone; Aschauer, Ulrich Johannes
(2018).
Anion Order and Spontaneous Polarization in LaTiO₂N Oxynitride Thin Films.
Physical review letters, 120(4), 046001-1-046001-5.
American Physical Society
10.1103/PhysRevLett.120.046001
Flores, Eibar; Vonrüti, Nathalie Simone; Novák, Petr; Aschauer, Ulrich Johannes; Berg, Erik J.
(2018).
Elucidation of LixNi0.8Co0.15Al0.05O2 Redox Chemistry by Operando Raman Spectroscopy.
Chemistry of materials, 30(14), pp. 4694-4703.
American Chemical Society
10.1021/acs.chemmater.8b01384
Vonrüti, Nathalie Simone; Aschauer, Ulrich Johannes
(2018).
Epitaxial strain dependence of band gaps in perovskite oxynitrides compared to perovskite oxides.
Physical review materials, 2(10)
American Physical Society
10.1103/PhysRevMaterials.2.105401
2015
Aschauer, Ulrich Johannes; Vonrüti, Nathalie Simone; Spaldin, Nicola A.
(2015).
Effect of epitaxial strain on cation and anion vacancy formation in MnO.
Physical review. B - condensed matter and materials physics, 92(5), 054103.
American Physical Society
10.1103/PhysRevB.92.054103