Person

Ursula Röthlisberger

Related publications (260)

Naphthalenediimide/Formamidinium-Based Low-Dimensional Perovskites

Michael Graetzel, Shaik Mohammed Zakeeruddin, David Lyndon Emsley, Ursula Röthlisberger, Jacques-Edouard Moser, Jovana Milic, Pascal Alexander Schouwink, Marko Mladenovic, Dominik Józef Kubicki, Paramvir Ahlawat, Aditya Mishra, George Cameron Fish, Masaud Hassan S Almalki, Marco Alejandro Ruiz Preciado, Farzaneh Jahanbakhshi, Vincent Henri Guillaume Dufoulon, Thomas Schneeberger

Low-dimensional hybrid perovskites have emerged as promising materials for optoelectronic applications. Although these materials have already demonstrated enhanced stability as compared to their three-dimensional perovskite analogues, their functionality h ...

2021

Multimodal host–guest complexation for efficient and stable perovskite photovoltaics

Michael Graetzel, Shaik Mohammed Zakeeruddin, David Lyndon Emsley, Ursula Röthlisberger, Felix Thomas Eickemeyer, Jovana Milic, Michael Allan Hope, Marko Mladenovic, Ulf Anders Hagfeldt, Hong Zhang, Dan Ren, Zaiwei Wang, Paramvir Ahlawat, Aditya Mishra, Zhaowen Dong, Farzaneh Jahanbakhshi, Anurag Krishna, Jinming Guo, Olivier Ouellette, Zhiwen Zhou, Tzu-Sen Su

Formamidinium lead iodide perovskites are promising light-harvesting materials, yet stabilizing them under operating conditions without compromising optimal optoelectronic properties remains challenging. We report a multimodal host–guest complexation strat ...

2021

Gαi1 inhibition mechanism of ATP-bound adenylyl cyclase type 5

Ursula Röthlisberger, Siri Camee van Keulen, Daniele Narzi

Conversion of adenosine triphosphate (ATP) to the second messenger cyclic adenosine monophosphate (cAMP) is an essential reaction mechanism that takes place in eukaryotes, triggering a variety of signal transduction pathways. ATP conversion is catalyzed by ...

2021

Molecular Origin of the Asymmetric Photoluminescence Spectra of CsPbBr3 at Low Temperature

Ursula Röthlisberger, Ariadni Boziki, Mohammad Ibrahim Dar, Gwénolé Jean Jacopin

CsPbBr3 has received wide attention due to its superior emission yield and better thermal stability compared to other organic-inorganic lead halide perovskites. In this study, through an interplay of theory and experiments, we investigate the molecular ori ...

2021

Multidisciplinary Preclinical Investigations on Three Oxamniquine Analogues as New Drug Candidates for Schistosomiasis

Ursula Röthlisberger, François Louis Mouvet

Schistosomiasis is a disease of poverty affecting millions of people. Praziquantel (PZQ), with its strengths and weaknesses, is the only treatment available. We previously reported findings on three lead compounds derived from oxamniquine (OXA), an old ant ...

WILEY-V C H VERLAG GMBH2020

Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States

Ursula Röthlisberger, Justin Villard, Martin Peter Bircher

The calculation of electron correlation is vital for the description of atomistic phenomena in physics, chemistry, and biology. However, accurate wavefunction-based methods exhibit steep scaling and often sluggish convergence with respect to the basis set ...

AMER CHEMICAL SOC2020

Guanine‐Stabilized Formamidinium Lead Iodide Perovskites

Shaik Mohammed Zakeeruddin, David Lyndon Emsley, Ursula Röthlisberger, Jovana Milic, Yuhang Liu, Marko Mladenovic, Ulf Anders Hagfeldt, Dominik Józef Kubicki, Dan Ren, Amita Ummadisingu, Linfeng Pan, Paramvir Ahlawat, Marco Alejandro Ruiz Preciado, Li Hong

Formamidinium (FA) lead iodide perovskite materials feature promising photovoltaic performances and superior thermal stabilities. However, conversion of the perovskite α‐FAPbI3 phase to the thermodynamically stable yet photovoltaically inactive δ‐FAPbI3 ph ...

2020

Atomistic origins of the limited phase stability of Cs+-rich FAxCs(1-x)PbI3 mixtures

Michael Graetzel, David Lyndon Emsley, Ursula Röthlisberger, Ariadni Boziki, Simone Meloni, Dominik Józef Kubicki, Aditya Mishra

Mixed cation perovskites, [HC(NH2)2]xCs(1-x)PbI3, (FAxCs(1-x)PbI3) with x=0.8 achieve high solar cell power conversion efficiencies (PCEs) while exhibiting long-term stability under ambient conditions. In this work, we perform density functional theory (DF ...

ACS2020

Vapor-assisted deposition of highly efficient, stable black-phase FAPbI(3) perovskite solar cells

Shaik Mohammed Zakeeruddin, David Lyndon Emsley, Ursula Röthlisberger, Wolfgang Richard Tress, Felix Thomas Eickemeyer, Yuhang Liu, Haizhou Lu, Likai Zheng, Ulf Anders Hagfeldt, Xiong Li, Zaiwei Wang, Fan Fu, Paramvir Ahlawat, Aditya Mishra, Claudia Esther Avalos, Brian Irving Carlsen, Xianfu Zhang, Anand Agarwalla, Ying Yang

Mixtures of cations or halides with FAPbI(3) (where FA is formamidinium) lead to high efficiency in perovskite solar cells (PSCs) but also to blue-shifted absorption and long-term stability issues caused by loss of volatile methylammonium (MA) and phase se ...

AMER ASSOC ADVANCEMENT SCIENCE2020

Biomolecular Simulation: a Perspective from High Performance Computing

Ursula Röthlisberger, Viacheslav Bolnykh, Paolo Carloni

High-Performance Computing is impacting on all biomedical sciences, including molecular biophysics. Here, we describe general parallel computing strategies (multi-threading and distributed computing) used in all the natural sciences, including molecular bi ...

WILEY-V C H VERLAG GMBH2020

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