Wei Wei

Project

Inorganic Photocharging Battery (Inorganic SolStore) – Theoretical Study by First Principle Simulation
I am investigating the theoretical solid-state physics of particular properties of two prototypical inorganic, perovskite-type compounds: ABX3 and A2BX4 (A: monovalent cations; B: divalent cations; X: monovalent anions). In particular, my research investigates the photo-electronic and electro-chemical properties of these compounds to see how we can use them in the light-absorbing and cation-storing crystalline layers in SolStore hetero-structure systems. To this end, I use a computational quantum mechanical modelling method called density functional theory (DFT) calculation.

First supervisor

Prof. Dr. Christian Elsässer

Publications in livMatS

• Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites*
  Gebhardt, J., Wei, W., & Elsässer, C. (2021). Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites. The Journal of Physical Chemistry C, 125(34), 18597-18603. doi: 10.1021/acs.jpcc.1c04817
  
  
  * Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy – EXC-2193/1 – 390951807