Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model

por Xu, Peng, Zhang, Cai-Rong, Wang, Wei, Gong, Ji-Jun, Liu, Zi-Jiang, Chen, Hong-Shan
Publicado 2018

Understanding the Electronic Structures and Absorption Properties of Porphyrin Sensitizers YD2 and YD2-o-C8 for Dye-Sensitized Solar Cells

por Han, Li-Heng, Zhang, Cai-Rong, Zhe, Jian-Wu, Jin, Neng-Zhi, Shen, Yu-Lin, Wang, Wei, Gong, Ji-Jun, Chen, Yu-Hong, Liu, Zi-Jiang
Publicado 2013

The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO(2): A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approxima...

por Ma, Jin-Gang, Zhang, Cai-Rong, Gong, Ji-Jun, Wu, You-Zhi, Kou, Sheng-Zhong, Yang, Hua, Chen, Yu-Hong, Liu, Zi-Jiang, Chen, Hong-Shan
Publicado 2015