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

by Peng Xu, Cai-Rong Zhang, Wei Wang, Ji-Jun Gong, Zi-Jiang Liu, Hong-Shan Chen
Published 2018-04-01

Moxibustion against Cyclophosphamide-Induced Premature Ovarian Failure in Rats through Inhibiting NLRP3-/Caspase-1-/GSDMD-Dependent Pyroptosis

by Cai-rong Zhang, Wei-na Zhu, Wei Tao, Wan-qi Lin, Chang-cheng Cheng, Han Deng, Guang-xia Ni
Published 2021-01-01

First-Principle Study of H2 Adsorption on LaFeO3(110) Surface

by Yu-Hong Chen, Bing-Wen Zhang, Liang Yang, Mei-Ling Zhang, Cai-Rong Zhang, Long Kang, Yong-Chun Luo
Published 2014-01-01

Density functional theory study on the electronic structures and related properties of Ag-doped CH3NH3PbI3 perovskite

by Zi-Wei Xu, Cai-Rong Zhang, You-Zhi Wu, Ji-Jun Gong, Wei Wang, Zi-Jiang Liu, Hong-Shan Chen
Published 2019-12-01

Electronic Structures and Optical Properties of Phenyl C71 Butyric Acid Methyl Esters

by Cai-Rong Zhang, Li-Heng Han, Jian-Wu Zhe, Neng-Zhi Jin, Yu-Lin Shen, Li-Hua Yuan, You-Zhi Wu, Zi-Jiang Liu
Published 2013-01-01

The Role of Porphyrin-Free-Base in the Electronic Structures and Related Properties of N-Fused Carbazole-Zinc Porphyrin Dye Sensitizers

by Xing-Yu Li, Cai-Rong Zhang, You-Zhi Wu, Hai-Min Zhang, Wei Wang, Li-Hua Yuan, Hua Yang, Zi-Jiang Liu, Hong-Shan Chen
Published 2015-11-01

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

by Zi-Jiang Liu, Yu-Hong Chen, Wei Wang, Yu-Lin Shen, Neng-Zhi Jin, Li-Heng Han, Cai-Rong Zhang, Ji-Jun Gong, Jian-Wu Zhe
Published 2013-10-01

The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximati...

by Jin-Gang Ma, Cai-Rong Zhang, Ji-Jun Gong, You-Zhi Wu, Sheng-Zhong Kou, Hua Yang, Yu-Hong Chen, Zi-Jiang Liu, Hong-Shan Chen
Published 2015-08-01

The Role of the Conjugate Bridge in Electronic Structures and Related Properties of Tetrahydroquinoline for Dye Sensitized Solar Cells

by You-Zhi Wu, Zi-Jiang Liu, Mei-Lin Zhang, Li-Hua Yuan, Yao Ma, Neng-Zhi Jin, Jian-Wu Zhe, Li Liu, Cai-Rong Zhang, Hong-Shan Chen
Published 2013-03-01