Xi Cao, Xueqing Zhang, Rochan Sinha, Shuxia Tao, Anja Bieberle-Hütter. The importance of charge redistribution during electrochemical reactions: a density functional theory study of silver orthophosphate (Ag3PO4). Phys. Chem. Chem. Phys. (2019). [link]

About CCER

The Center for Computational Energy Research  aims to explore pathways to future energy systems. This is done via computational simulations that complement experimental energy research. The center was founded in 2017 as the result of a joint initiative between the Department of Applied Physics of the Eindhoven University of Technology and NWO Institute DIFFER.

Center for Computational Energy Research
TU/e Science Park
De Zaale 20
5612 AJ Eindhoven
The Netherlands

P.O. Box 6336
5600 HH Eindhoven
The Netherlands

+31 40 3334 999