Qihua Li studied the adsorption of water on several metal halide perovskites AMX3 using extensive geometries, energies and chemical bonding analysis within the DFT framework. In this work, Qihua focused on the impact of the compositional change in the adsorption...
Today, Sander started his master thesis project on DFTB for metal halide perovskites. The project is a collaboration with Vicent software company SCM. Welcome and we wish you a lot of success, Sander!
As of September 1st, our team, Computational Materials Physics (CMP) group, has moved from the Center for Computational Energy Research (CCER) to a new capacity group Materials Simulation & Modelling (MSM) at Applied Physics, TU/e. While we have become an...
For me, and likewise many other people, the coronavirus was just something bad happening in China at first. I thought the influence on my life would be minimal. Not much later the first cases started appearing in Europe, especially in Italy. People from popular skiing...
Together with our experimental collaboration Prof. Xinhui Lu (the Chinese University of Hong Kong), Haibo Xue studied the impact of the crystallization kinetics on the quality of the perovskite films. By combining in-situ X-ray scattering (GIWAXS) and DFT...
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