期刊论文

Bai, Fu-Quan;Zhang, Hong-Xing;Lee, Eun-Cheol

英文

Chemical Physics Letters

0009-2614

2019

719

39-44

10.1016/j.cplett.2019.01.047

This work was funded by the Natural Science Foundation of China (Grant Nos. 21873038 and 21573088 ), the Opening Foundation of State Key Laboratory of Chemo/Biosensing and Chemometrics of Hunan University and the Young Scholar Training Program of Jilin University . We also acknowledge the support by the Department of Education, Jilin Province , grant No. JJKH20180558KJ .

本校为其他机构

We present the theoretical investigation on tuning π-spacers in D-π-A organic dyes for dye-sensitized solar cells (DSSCs). The validity of three series of conjugate units (12 types) conventionally used in polymer photovoltaics are utilized as the π-spacers of organic dyes. Our results indicate that the extension of π conjugation can efficiently improve the absorption intensity. The absorption spectra red-shifts is because the increased π-spacers significantly destabilize the highest occupied molecular orbital level, whereas the lowest unoc...