兰州大学机构库 >化学化工学院
Theoretical Investigation of Novel Tetrathiafulvalene-Triphenylamine Sensitizers
Weng, XL; Wang, Y; Jia, CY; Wan, ZQ; Chen, XM; Yao, XJ(姚小军); Jia, CY (reprint author), Univ Elect Sci & Technol China, State Key Lab Elect Thin Films & Integrated Devic, Natl Engn Res Ctr Electromagnet Radiat Control Ma, Sch Microelect & Solid State Elect, Chengdu 610054, Peoples R China.
Indexed BySCIE ; CSCD
2016-08-15
Source PublicationACTA PHYSICO-CHIMICA SINICA
Volume32Issue:8Pages:1990-1998
Host of Journal中国化学会
PublisherPEKING UNIV PRESS
Publication PlaceBEIJING
AbstractTwo novel sensitizers with D-D-pi-A (YD2) and 2D-D-pi-A (YD3) structures were designed by introducing different numbers of tetrathiafulvalene (TTF) unit as the auxiliary electron donor based on the simple D-pi-A triphenylamine sensitizer (YD1) to enhance the electron donating ability. The geometries, electronic structures, and optical properties of YD1-3 before and after binding to TiO2 clusters were investigated. Owing to introduction of TTF unit, YD2 and YD3 show larger steric hindrance and a narrower band gap than YD1. Moreover, the estimated light-harvesting efficiency (LHE), injection driving force (Delta G(inject)) values, and density of states (DOS) calculations indicate that YD2 and YD3 should show higher short-circuit photocurrent density (J(sc)) and open-circuit photovoltage (V-oc) than YD1 with the presence of TTF unit. All of the results indicate that TTF unit can be used as an auxiliary electron donor in organic sensitizers to improve their photovoltaic properties.
KeywordTriphenylamine Tetrathiafulvalene Sensitizer Density functional theory Dye-sensitized solar cell
Department[Weng Xiao-Long;
Wang Yan;
Jia Chun-Yang;
Wan Zhong-Quan] Univ Elect Sci & Technol China, State Key Lab Elect Thin Films & Integrated Devic, Natl Engn Res Ctr Electromagnet Radiat Control Ma, Sch Microelect & Solid State Elect, Chengdu 610054, Peoples R China;
[Chen Xi-Ming] CSR Zhuzhou Elect Locomot Res Inst Co Ltd, Zhuzhou 412001, Hunan, Peoples R China;
[Yao Xiao-Jun] Lanzhou Univ, State Key Lab Appl Organ Chem, Sch Chem & Chem Engn, Lanzhou 730000, Peoples R China
Subject AreaChemistry
Project Numbersupported by the National Natural Science Foundation of China
Funding Project国家自然科学基金项目
Funding OrganizationNSFC
DOI10.3866/PKU.WHXB201605031
ISSN1000-6818
SubtypeArticle
Language英语
WOS IDWOS:000382428100014
CSCD IDCSCD:5773844
IRIDWOS:000382428100014
First Inst
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.lzu.edu.cn/handle/262010/180544
Collection化学化工学院
Corresponding AuthorJia, CY (reprint author), Univ Elect Sci & Technol China, State Key Lab Elect Thin Films & Integrated Devic, Natl Engn Res Ctr Electromagnet Radiat Control Ma, Sch Microelect & Solid State Elect, Chengdu 610054, Peoples R China.
Recommended Citation
GB/T 7714
Weng, XL,Wang, Y,Jia, CY,et al. Theoretical Investigation of Novel Tetrathiafulvalene-Triphenylamine Sensitizers[J]. ACTA PHYSICO-CHIMICA SINICA,2016,32(8):1990-1998.
APA Weng, XL.,Wang, Y.,Jia, CY.,Wan, ZQ.,Chen, XM.,...&Jia, CY .(2016).Theoretical Investigation of Novel Tetrathiafulvalene-Triphenylamine Sensitizers.ACTA PHYSICO-CHIMICA SINICA,32(8),1990-1998.
MLA Weng, XL,et al."Theoretical Investigation of Novel Tetrathiafulvalene-Triphenylamine Sensitizers".ACTA PHYSICO-CHIMICA SINICA 32.8(2016):1990-1998.
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