期刊论文

Zhang, Xingming;Wang, Liang;Lu, Teng-Fei

英文

Taiyo Enerugi

0038-092X

2019

188

742-749

10.1016/j.solener.2019.06.062

Acknowledgement W.L. acknowledges startup funding from Hunan Agricultural University (grant Nos. 540499818006 and 18QN02). L.W. acknowledge support of the National Science Foundation of China, grant 11802092. F.Q.B. acknowledges the Opening Foundation of State Key Laboratory of Chemo/Biosensing and Chemometrics of Hunan University and the Young Scholar Training Program of Jilin University, the support by the department of education, Jilin province, grant No. JJKH20180558KJ.

本校为第一且通讯机构

We develop a series of porphyrin sensitizers with electron-deficit heterocycles based on the well-known YD2-o-C8 dye for application in dye-sensitized solar cells with the help of ab initio density functional theory calculations and quantum dynamics simulation based on the tight-binding extended Hückel Hamiltonian at the semiempirical level. The calculation results show that introduction of electron-deficit heterocycles into the porphyrin dyes can remarkably red-shift and broaden the Q band of the absorption spectrum and extend the coverage in...