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Author:

Liang, Guijie (Liang, Guijie.) | Xu, Jie (Xu, Jie.) | Xu, Weilin (Xu, Weilin.) | Wang, Luoxin (Wang, Luoxin.) | Shen, Xiaolin (Shen, Xiaolin.) | Yao, Mu (Yao, Mu.)

Indexed by:

SCIE EI

Abstract:

The geometries, electronic structures and absorption spectra of the two organic triphenylamine-based dyes TA-St-CA and TA-DM-CA, containing identical electron donors and acceptors but the different conjugated bridges, were studied by density functional theory (DFT) at the B3LYP and PBE1PBE levels, respectively. The influence of para-orientating methoxyl units on the electronic structures and light absorption properties of the dyes and the consequent photovoltaic performance of the dye-sensitized solar cells (DSSCs) were investigated in detail. The results indicate that the introduction of the para-orientating methoxyl units into the conjugated bridge induces the increased absorption wavelength as well as the more negative E-HOMO corresponding to the bigger driving force (E-I-(/I3)- - E-HOMO) for dye reduction, which together improve the photovoltaic performance of TA-DM-CA, although there is a decline of the open circuit voltage caused by the more negative E-LUMO.

Keyword:

Absorption spectra Density functional theory Dye-sensitized solar cells Electronic structure

Author Community:

  • [ 1 ] [Liang, Guijie] Xi An Jiao Tong Univ, Coll Mat Sci & Engn, Xian 710049, Peoples R China
  • [ 2 ] [Xu, Jie; Xu, Weilin; Wang, Luoxin; Shen, Xiaolin] Wuhan Text Univ, Minist Educ, Key Lab Green Proc & Funct Text New Text Mat, Wuhan 430073, Peoples R China
  • [ 3 ] [Yao, Mu] Xian Polytech Univ, Xian 710049, Peoples R China

Reprint Author's Address:

  • Xi An Jiao Tong Univ, Coll Mat Sci & Engn, Xian 710049, Peoples R China.

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Source :

BULLETIN OF THE KOREAN CHEMICAL SOCIETY

ISSN: 0253-2964

Year: 2011

Issue: 7

Volume: 32

Page: 2279-2285

0 . 9 0 6

JCR@2011

0 . 9 6 9

JCR@2020

ESI Discipline: CHEMISTRY;

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 4

SCOPUS Cited Count: 4

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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