DFT studies on the electronic structures of indoline dyes for dye-sensitized solar cells-Reference-Cited by-同舟云学术

DFT studies on the electronic structures of indoline dyes for dye-sensitized solar cells

Published:2010 Issue:2 Volume:75 Page:259-269
ISSN:0352-5139
Container-title:Journal of the Serbian Chemical Society
language:en
Short-container-title:JSCS

Author:

Xu Jie¹,Zhang Hui¹,Liang Guijie¹,Wang Luoxin¹,Weilin Xu¹,Cui Weigang¹,Zengchang Li¹

Affiliation:

1. Key Lab of Green Processing & Functional Textiles of New Textile Materials, Ministry of Education, Wuhan University of Science & Engineering, Wuhan, Hubei, China

Abstract

A series of indoline dyes with promising efficiency for dye-sensitized solar cells (DSSCs) were studied using the density functional theory at the B3LYP/6-31g (d) level. The ground-state geometries, electronic structures and absorption spectra of these dyes are reported. The calculated results indicate that the energy levels of the HOMOs and LUMOs of these dyes are advantageous for electron injection. Their intense and broad absorption bands as well as favorable excited-state energy levels are key factors for their outstanding efficiencies in DSSCs.

Publisher

National Library of Serbia

Subject

General Chemistry

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