The absolute energy levels

The absolute energy levels

Our paper “Absolute energy level positions in tin and lead based halide perovskites” is published today on Nature Communications for publication. Here, we address one of the most debated topics in the material class of metal halide perovskites: the absolute energy...
The small anions in perovskites

The small anions in perovskites

Our work in collaboration with Peking University on the effective passivation of several types of vacancy defects in metal halide perovskite for highly stable perovskite solar cells by small anions is published today on Nature Energy. We obtain stable perovskite solar...
START-UP grant for Shuxia Tao

START-UP grant for Shuxia Tao

Congratulations to Shuxia Tao for receiving a prestigious personal NWO START-UP grant. This grant is intended for creative, risky ideas of recently appointed assistant and associate professors in physics and chemistry in the Netherlands. Shuxia Tao received the grant...
Welcome to our new website

Welcome to our new website

The Computational Materials Physics group has launched their new website: ShuxiaTao.com. You can find information on the members of the group and the research performed in the group. We have a section dedicated to news and planned events, as well as information on job...
Tin, the enabler

Tin, the enabler

Congratulations to Chidozie Onwudinanti for publishing his first first-author paper ‘Tin, The Enabler—Hydrogen Diffusion into Ruthenium’. (Open Access) Combining DFT calculations and several chemical bonding and charge analysis techniques, Onwudinanti et al...
The small cations in perovskites

The small cations in perovskites

In collaboration with group of Ni Zhao from the Chinese University of Hong Kong, in our recent publication on Advanced Materials, we reveal the mysterious role of small alkali ions in mixed perovskites in stabilizing the perovskite solar cells. Combining theoretical...