Leila Kalantari , graduated 2021

Calculation of 2D metal oxide surfaces (Supervisor: P. Blaha)

Short bio: Leila Kalantari I got my M. Sc. (in condensed matter theory) in July 2011 in Iran. In2015 I moved to Vienna, since I wanted to learn more about material science from real experts. Since March 2016 I have worked in the Wien2k group of Prof. Peter Blaha.

Summary of the PhD project: Calculation based on DFT of 2D structures and surfaces. Special emphasis will be given to investigate the Van der Waals interaction between adjacent layers or of adsorbed molecules to a surface. One example that we are working on it is Co3O4 (1 1 1) and the adsorption of water on that surface.

Thoughts on TU-D: TU-D brings me into contact with other PhD students, which are not directly working in my field, but on related topics. This gives me the chance to get insights into many interdisciplinary topics and to widen my scientific horizon.