Density functional theory design of double donor dyes and electron transfer on dye/TiO2(101) composite systems for dye-sensitized solar cells-Reference-Cited by-同舟云学术

Density functional theory design of double donor dyes and electron transfer on dye/TiO2(101) composite systems for dye-sensitized solar cells

Published:2021 Issue:5 Volume:11 Page:3071-3078
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Lin Chundan¹²³⁴⁵,Liu Yanbing¹²³⁴⁵,Shao Di¹²³⁴⁵,Wang Guochen¹²³⁴⁵,Xu Huiying¹²³⁴⁵,Shao Changjin¹²³⁴⁵,Zhang Wansong¹²³⁴⁵,Yang Zhenqing¹²³⁴⁵^ORCID

Affiliation:

1. Beijing Key Laboratory of Optical Detection Technology for Oil and Gas

2. College of Science

3. China University of Petroleum

4. Beijing 102249

5. P. R. China

Abstract

We designed a series of double donor organic dyes based on experimentally synthesized dye WD8, and further investigated their electronic structure, stability of the dye/TiO₂ (101) systems, density of states (DOS) and absorption spectra using density functional theory (DFT).

Funder

ShanXi Science and Technology Department

China Scholarship Council

Beijing Higher Education Young Elite Teacher Project

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/RA/D0RA08815C

Reference44 articles.

1. Aqueous dye-sensitized solar cells