期刊
ORGANIC ELECTRONICS
卷 15, 期 6, 页码 1205-1214出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.orgel.2014.03.022
关键词
Organic dyes; DFT/TDDFT; Dual band; Donor-acceptor; Absorption spectra
资金
- National Science Council of Taiwan [NSC 101-2113-M-011004- MY3]
A series of metal free organic sensitizers have been designed and their optoelectronic properties for DSSC applications have been systematically investigated using density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods. The role of donor/acceptor monomers on the electron donating/withdrawing abilities has been discussed and promising donor-acceptor combinations are screened. Based on this screening, some of novel metal free sensitizers have been designed and their electronic and spectral properties have been investigated using DFT/TDDFT methods. Our results show that the designed molecules are promising candidates to provide good performances as sensitizers in the DSSC applications. (C) 2014 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据