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.
