U
Ursula Rothlisberger
Researcher at École Polytechnique Fédérale de Lausanne
Publications - 338
Citations - 24706
Ursula Rothlisberger is an academic researcher from École Polytechnique Fédérale de Lausanne. The author has contributed to research in topics: Density functional theory & Excited state. The author has an hindex of 68, co-authored 322 publications receiving 20418 citations. Previous affiliations of Ursula Rothlisberger include Curtin University & University of Milan.
Papers
More filters
Journal ArticleDOI
Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers
Simon Mathew,Aswani Yella,Peng Gao,Robin Humphry-Baker,Basile F. E. Curchod,Negar Ashari-Astani,Ivano Tavernelli,Ursula Rothlisberger,Md. K. Nazeeruddin,Michael Grätzel +9 more
TL;DR: A molecularly engineered porphyrin dye is reported, coded SM315, which features the prototypical structure of a donor-π-bridge-acceptor and both maximizes electrolyte compatibility and improves light-harvesting properties.
Journal ArticleDOI
Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells.
Jaeki Jeong,Jaeki Jeong,Minjin Kim,Jongdeuk Seo,Haizhou Lu,Paramvir Ahlawat,Aditya Mishra,Yingguo Yang,Michael A. Hope,Felix Eickemeyer,Maengsuk Kim,Yung Jin Yoon,In Woo Choi,Barbara Primera Darwich,Seung Ju Choi,Yimhyun Jo,Jun Hee Lee,Bright Walker,Shaik M. Zakeeruddin,Lyndon Emsley,Ursula Rothlisberger,Anders Hagfeldt,Anders Hagfeldt,Dong Suk Kim,Michael Grätzel,Jin Young Kim +25 more
TL;DR: In this paper, the pseudo-halide anion formate (HCOO−) was used to suppress anion-vacancy defects that are present at grain boundaries and at the surface of the perovskite films.
Journal ArticleDOI
Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells
Chenyi Yi,Jingshan Luo,Simone Meloni,Ariadni Boziki,Negar Ashari-Astani,Carole Grätzel,Shaik M. Zakeeruddin,Ursula Rothlisberger,Michael Grätzel +8 more
TL;DR: In this paper, the optoelectronic properties of mixed A-cation perovskites and the underlying reasons for their excellent performance and high stability were analyzed using first principle computations.
Journal ArticleDOI
Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells
Simone Meloni,Thomas Moehl,Wolfgang Tress,Marius Franckevičius,Michael Saliba,Yong Hui Lee,Peng Gao,Mohammad Khaja Nazeeruddin,Shaik M. Zakeeruddin,Ursula Rothlisberger,Michael Graetzel +10 more
TL;DR: The computationally determined activation energies for halide ion (vacancy) migration are in excellent agreement with the experimentally determined values, suggesting that the migration of this species causes the observed hysteretic behaviour of these solar cells.
Journal ArticleDOI
A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations
TL;DR: In this article, a fully Hamiltonian and computationally efficient scheme to include the electrostatic effects due to the classical environment in a Car-Parrinello mixed quantum mechanics/molecular mechanics (QM/MM) method is presented.