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Chemistry

D-Index
86
Citations
34966
World Ranking
2488
National Ranking
58

Research.com Recognitions

  • 2018 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Ursula Rothlisberger is affiliated with École Polytechnique Fédérale de Lausanne in Switzerland. Their research primarily focuses on materials science and engineering, with significant contributions in the fields of electrical and electronic engineering, materials chemistry, molecular biology, polymers and plastics, and atomic and molecular physics and optics.

Their main topics of study include perovskite materials and applications, conducting polymers and applications, solid-state spectroscopy and crystallography, quantum dots synthesis and properties, spectroscopy and quantum chemical studies, chalcogenide semiconductor thin films, and polyoxometalates: synthesis and applications.

Recent publications by Ursula Rothlisberger include the following papers:

  • Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells (2021, Nature)
  • Vapor-assisted deposition of highly efficient, stable black-phase FAPbI 3 perovskite solar cells (2020, Science)
  • Low-loss contacts on textured substrates for inverted perovskite solar cells (2023, Nature)
  • Tautomeric mixture coordination enables efficient lead-free perovskite LEDs (2023, Nature)
  • Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells (2020, Journal of the American Chemical Society)

Frequent co-authors collaborating with Ursula Rothlisberger are:

  • Shaik M. Zakeeruddin
  • Michaël Grätzel
  • Jovana V. Milić
  • Paramvir Ahlawat
  • Michael Gräetzel

Ursula Rothlisberger has published extensively in venues such as:

  • Zenodo (CERN European Organization for Nuclear Research)
  • Journal of Chemical Theory and Computation
  • Nature Communications
  • arXiv (Cornell University)
  • bioRxiv (Cold Spring Harbor Laboratory)

Among the awards received, Ursula Rothlisberger was recognized as a Fellow of the American Association for the Advancement of Science (AAAS) in 2018.

Best Publications

  • Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers

    Simon Mathew;Aswani Yella;Peng Gao;Robin Humphry-Baker

  • Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells.

    Jaeki Jeong;Jaeki Jeong;Minjin Kim;Jongdeuk Seo;Haizhou Lu

  • Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells

    Chenyi Yi;Jingshan Luo;Simone Meloni;Ariadni Boziki

  • A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations

    Alessandro Laio;Joost VandeVondele;Ursula Rothlisberger

  • Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells

    Simone Meloni;Thomas Moehl;Wolfgang Tress;Marius Franckevičius

  • Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 perovskite solar cells.

    Haizhou Lu;Yuhang Liu;Paramvir Ahlawat;Aditya Mishra

  • Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory

    O. Anatole von Lilienfeld;Ivano Tavernelli;Ursula Rothlisberger;Daniel Sebastiani

  • Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

    Elizabeth Brunk;Elizabeth Brunk;Ursula Rothlisberger

  • New Paradigm in Molecular Engineering of Sensitizers for Solar Cell Applications

    Takeru Bessho;Eiji Yoneda;Jun-Ho Yum;Matteo Guglielmi

  • Trajectory Surface Hopping within Linear Response Time-Dependent Density-Functional Theory

    Enrico Tapavicza;Ivano Tavernelli;Ursula Rothlisberger

  • Low-loss contacts on textured substrates for inverted perovskite solar cells

    Unknown

  • Structural and electronic properties of sodium microclusters (n=2–20) at low and high temperatures: New insights from ab initio molecular dynamics studies

    Ursula Röthlisberger;Wanda Andreoni

  • Origin of unusual bandgap shift and dual emission in organic-inorganic lead halide perovskites

    M. Ibrahim Dar;Gwénolé Jacopin;Simone Meloni;Alessandro Mattoni

  • Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections.

    I-Chun Lin;Ari P Seitsonen;Ivano Tavernelli;Ursula Rothlisberger

  • The Role and Perspective of Ab Initio Molecular Dynamics in the Study of Biological Systems

    Paolo Carloni;Ursula Rothlisberger;Michele Parrinello

  • Structure of nanoscale silicon clusters.

    Ursula Röthlisberger;Wanda Andreoni;Michele Parrinello

  • Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity.

    Zenita Adhireksan;Gabriela E. Davey;Pablo Campomanes;Michael Groessl

  • Quantitative Photo Activated Localization Microscopy: Unraveling the Effects of Photoblinking

    Paolo Annibale;Stefano Vanni;Marco Scarselli;Ursula Rothlisberger

  • Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry

    Enrico Tapavicza;Ivano Tavernelli;Ursula Rothlisberger;Claudia Filippi

  • D-RESP: Dynamically Generated Electrostatic Potential Derived Charges from Quantum Mechanics/Molecular Mechanics Simulations

    Alessandro Laio;Joost VandeVondele;Ursula Rothlisberger

  • Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study

    Antoine Dorcier;Paul J. Dyson;Christian Gossens;Ursula Rothlisberger

  • Identification of clustering artifacts in photoactivated localization microscopy

    Paolo Annibale;Stefano Vanni;Marco Scarselli;Ursula Rothlisberger

Frequent Co-Authors

Ivano Tavernelli
Ivano Tavernelli IBM (United States)
Paolo Carloni
Paolo Carloni Forschungszentrum Jülich
Thomas J. Penfold
Thomas J. Penfold Newcastle University
Michael Grätzel
Michael Grätzel École Polytechnique Fédérale de Lausanne
Majed Chergui
Majed Chergui École Polytechnique Fédérale de Lausanne
Paul J. Dyson
Paul J. Dyson École Polytechnique Fédérale de Lausanne
Alessandro Laio
Alessandro Laio International School for Advanced Studies
Shaik M. Zakeeruddin
Shaik M. Zakeeruddin École Polytechnique Fédérale de Lausanne

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