Shuxia Tao, Ines Schmidt, Geert Brocks, Junke Jiang, Ionut Tranca, Klaus Meerholz and Selina Olthof. Absolute energy level positions in tin- and lead-based halide perovskites. Nature Communications (2019). [link]

Nengxu Li, Shuxia Tao, Chidozie Onwudinanti, Geert Brocks, Huanping Zhou et al. Cation and anion immobilization through chemical bonding enhancement with fluorides with stable halide perovskite solar cells. Nature Energy (2019). [link]

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]

Davide Bartesaghi, Aniruddha Ray, Junke Jiang, Ricardo K. M. Bouwer, Shuxia Tao and Tom J. Savenije. Partially replacing Pb2+ by Mn2+ in hybrid metal halide perovskites: Structural and electronic properties. APL Materials 6, 121106 (2018). [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