Prof. Dr. Ulrich Aschauer SNF-Förderprofessur (bis 31.12.2021) Departement für Chemie, Biochemie und Pharmazie Telefon +41 31 684 56 29 E-Mail ulrich.aschauer@unibe.ch Büro N215 Postadresse Freiestrasse 3 CH-3012 Bern Pers. Website www.plus.ac.at/chemie-und-physik-der-materialien/research/materials-theory
CV Work Experience 01/2016 - 12/2021: SNF Professor, Department of Chemistry and Biochemistry / Department of Chemistry, Biochemistry and Pharmaceutical Sciences (since 01/2021), University of Bern, Bern Switzerland 05/2011 - 12/2015: Post-Doctoral Researcher in the Group of Nicola Spaldin, Materials Theory, ETH Zürich 11/2008 - 04/2011: Post-Doctoral Researcher in the Group of Annabella Selloni, Chemistry Department, Princeton University Education 07/2005 – 10/2008: Ph.D. in Material Science and Engineering, EPFL, Lausanne, Switzerland 10/2004 – 02/2005: Master research project in the group of Julian Gale at Curtin University of Technology, Perth, Australia 10/1999 – 04/2005: B.S. and M.S. in Material Science and Engineering, EPFL, Lausanne, Switzerland Awards 2015: Swiss National Science Foundation Professorship 2009: Prix du Professeur René Wasserman, EPFL 2008: Swiss National Science Foundation Post-Doctoral Fellowship
Research In our research we apply theoretical electronic structure methods, mainly density functional theory, to investigate transition metal oxides. Main research topics are: Functional quantum materials The role of defects for material properties Surface chemistry and properties of complex transition metal oxides and oxynitrides Defect chemistry under external strain, electric and magnetic fields
Publications Liste der im neuen BORIS Portal erfassten Publikationen (Anpassung der Publikationen im BORIS Portal: https://boris-portal.unibe.ch) Publication Year Type
Team Alumni Name / Titel Dr. Xing Wang Funktion Postdoc (July 2020-September 2022), now Postdoc at EPFL Name / Titel Dr. Didrik Småbråten Funktion Postdoc (October 2020 - September 2021), now at SINTEF Name / Titel Dr. Chiara Ricca Funktion Postdoc (March 2017 - April 2022), now at DOW Chemical Name / Titel Dr. Moloud Kaviani Funktion Postdoc (October 2019 - November 2021), now at imec Name / Titel Nicolas Niederhauser Funktion MSc Project (Mai 2020-September 2021), Bachelor Project (February 2019-May 2019), now PhD at Insel Gruppe Name / Titel Tristan Blandenier Funktion Bachelor Project (February 2021-May 2021) Name / Titel Dr. Maximilian Amsler Funktion Postdoc (March 2019 - February 2021), now at Bosch research Name / Titel Vasyl Stotskyi Funktion MSc Student (Jan 2020 - Jan 2021), Research Assistant (June 2019-Dec 2019), now PhD at PSI Name / Titel Prateeti Hazarika Funktion Research assistant (October 2018-October 2020) Name / Titel Dr. Nathalie Vonrüti Funktion PhD Student (January 2017-December 2019), Postdoc (January 2020-March 2020), now at Axpo Name / Titel Dr. Solveig Stubmo Aamlid Funktion Visiting PhD Student (April 2019 - August 2019), now at University of British Columbia Name / Titel Dr. Maria Bouri Funktion PhD Student (June 2016-May 2019), now at DOW Chemical Name / Titel Dr. Hassan Ouhbi Funktion PhD Student (February 2016-January 2019), now Postdoc at Chalmers University Name / Titel Wenjuan Ma Funktion Master Project (January 2018-January 2019) Name / Titel Dr. Silviya Ninova Funktion Postdoc, Employee Nr. 1, (January 2016-December 2018), now at FAREVA Unterach Name / Titel Simon Nussbaum Funktion Bachelor Project (February 2017-May 2017), now PhD at EPFL Name / Titel Till Schertenleib Funktion Bachelor Project (February 2017-May 2017), now PhD at EPFL Group photos Group photo Ried (VS) 4.7.2019 Group photo with Piz Daint (the real one), 4.9.2018 After the Santa Run (1.12.2017) Group photo at Gelmersee, October 2017 Group photo, June 2017 Group photo, February 2017 Stuck in the queue, February 2017 Schliessen Group photo, September 2016
Name / Titel Nicolas Niederhauser Funktion MSc Project (Mai 2020-September 2021), Bachelor Project (February 2019-May 2019), now PhD at Insel Gruppe
Name / Titel Dr. Maximilian Amsler Funktion Postdoc (March 2019 - February 2021), now at Bosch research
Name / Titel Vasyl Stotskyi Funktion MSc Student (Jan 2020 - Jan 2021), Research Assistant (June 2019-Dec 2019), now PhD at PSI
Name / Titel Dr. Nathalie Vonrüti Funktion PhD Student (January 2017-December 2019), Postdoc (January 2020-March 2020), now at Axpo
Name / Titel Dr. Solveig Stubmo Aamlid Funktion Visiting PhD Student (April 2019 - August 2019), now at University of British Columbia
Name / Titel Dr. Hassan Ouhbi Funktion PhD Student (February 2016-January 2019), now Postdoc at Chalmers University
Name / Titel Dr. Silviya Ninova Funktion Postdoc, Employee Nr. 1, (January 2016-December 2018), now at FAREVA Unterach
Didrik joins the group Didrik joins the group as a postdoc to work on the defect chemistry of ferroelectric domainwalls. Welcome, Didrik!
Xing joins the group Xing joins the group as a postdoc to work on oxynitride surface chemistry. Welcome, Xing!
Nathalie defends her PhD and leaves the group After defending her PhD with flying colors in December, Nathalie leaves the group. Thanks for all the good work and all the best for the future!
New paper in J Phys Chem C Elucidation of the charge state of oxygen vacancy in photoresponsive ZrO2 by a combination of experiment and theory.
Max joins the group Max Amsler joins to group to apply machine learning and global structure search to oxide surfaces. Welcome, Max!
Chiara's paper in PRB Chiara's self-consistent site-dependent DFT+U paper published in Physical Review B. Thanks to Iurii, Matteo and Nicola for the nice collaboration and to the NCCR MARVEL for funding.
Master projects Claude and Wenjuan finish their Master projects. Congrats and all the best for the future.
Hassan defends his PhD Hassan is the first student from the group to defend his Ph.D. Congrats Dr. Ouhbi!
Paper in APL Materials Publication on the origin of surface polarisation on CaTiO3 nanoparticles and single crystals based on the unwinding of octahedral rotations.
Paper in J Mat Chem A Silviya's calculations show how to build polar/non-polar interfaces in the oxynitride LaTiO2N and how they enhance the photocatalytic activity or can lead to 2D electron gas-like behavior.
Silviya leaving for Salzburg Silviya leaves the group after 3 years as a postdoc. Thank you so much for the huge contribution in getting the group going and all the best for the new job in Salzburg.
Paper in Phys Rev Materials Novel pressure and epitaxial strain-induced charge disproportionation transition predicted in EuMnO3, converting the ambient Eu3+Mn3+O3 to the Eu2+Mn4+O3 phase under compression.
Paper in Chem Mater In collaboration with experiments by the group of Raffaella Buonsanti at EPFL, Silviya's calculations elucidate the size-dependent optical properties of Cu3VS4. Thanks for the nice collaboration, Raffaella.
New collaborator Prateeti Hazarika joins the group for her PhD, working on defect-domainwall interactions in complex oxides. Welcome, Prateeti!
Paper in Phys. Rev. Materials Nathalie's paper rationalizes the different strain-dependence of band gaps in oxynitrides compared to oxides.
Poster award for Maria Maria wins the runner-up award for her poster in the Catalysis session at the Swiss Chemical Society Fall Meeting. Congrats!
Paper in Surface Science Hassan's DFT calculations predict NaTaO3 to be a more active catalyst than SrTaO2N. The latter has improved light absorption, leading to a tradeoff between catalytic activity and light absorption.
Chemistry of Materials In operando Raman spectroscopy and DFT calculations provide a unique understanding of the structure of the lithium ion battery electrode material LixNi0.8Co0.15Al0.05O2 during cycling.
Bachelor Project Benjamin defends his Bachelor project on the effect of layering in oxides on their photocatalytic properties.
Nathalie's paper in PRL Epitaxial strain changes the anion order and spontaneous polarisation in oxynitrides, potentially enabling the design of ferroelectric photocatalysts with enhanced reactivity.
Maria's paper in PCCP The electronic structure of the Ruddlesden-Popper oxynitride Sr2TaO3N TaON-terminated (001) surface may suppress carrier recombination and lead to superior photocatalytic activity.
Paper in J Phys Chem C STM and DFT suggest a new surface termination for rutile (011) after exposure to liquid water
Paper in Small Our DFT calculations support experimental measurements of an iron-oxide nanoparticle's protein-corona composition in conditions mimicking either the blood or lymph flow in the human body.
First bachelor projects Simon and Till defended their Bachelor projects with flying colors. Congratulations to both of them!
Paper in Angewandte Classical MD to support the structure of a 2D polymer formed by DNA self-assembly synthesized in the Häner Group.
New collaborator Chiara joins the group to work on functionality by defects in oxides funded by the NCCR MARVEL. Welcome, Chiara!
Paper in Nano Letters Experimental measurement of our predicted change in CaMnO3 oxygen vacancy defect chemistry under epitaxial strain.
Paper in Advanced Materials Strain dependent defect chemistry in Gd doped CeO2 to understand their memristive behaviour.
