A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties

doi:10.1140/epjd/e2016-70071-3

IR > 理学院

	A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties
	Li, Xing-Yu 1,2; Zhang, Cai-Rong1,2 ; Yuan, Li-Hua2 ; Zhang, Mei-Ling2 ; Chen, Yu-Hong1,2 ; Liu, Zi-Jiang 3
	2016-10-01
发表期刊	European Physical Journal D
ISSN	14346060
卷号	70 期号:10
摘要	Abstract: Understanding the electronic structures and excitation properties of dye sensitizers hassignificant importance to improve the photon-energy conversion efficiency (PCE) ofdye-sensitized solar cells (DSSCs). Here, based upon the results calculated using densityfunctional theory, the electronic structures and excitation related properties ofporphyrin dye sensitizers YD2-o-C8, SM315, and SM371 were analyzed. It was found that thesimilar electronic structures of YD2-o-C8 and SM371 result in similar absorption spectra,excitation, and free energy variation for electron injection (EI) and dye regeneration.However, since the electronic structure of the benzothiadiazole unit is well-coupled tothat of the porphyrin ring, introducing benzothiadiazole into porphyrin dyes generates adecrease in the lowest unoccupied molecular orbital energy, red-shift and splitting ofabsorption bands. Meanwhile, remarkably it increases the transferred charges ofexcitation, which is responsible for the superior short-circuit current density of SM315sensitized DSSCs. Furthermore, the transition configurations and molecular orbitalsindicate the diarylamine group acts as an electronic donor, and the different EI modeswith different timescales coexist in excited states due to the multi-configurations oftransition. The results of structure-property relationships are favorable to develop noveldye sensitizers for DSSCs. Graphical abstract: [Figure not available: see fulltext.] © 2016, EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg.
关键词	Conversion efficiency Electronic structure Free energy Molecular orbitals Porphyrins Red Shift Solar cells
DOI	10.1140/epjd/e2016-70071-3
收录类别	EI ; SCIE
语种	英语
WOS研究方向	Optics ; Physics
WOS类目	Optics ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000398261700001
出版者	Springer Science and Business Media, LLC
EI入藏号	20214611169434
EI主题词	Structural properties
EI分类号	408 Structural Design ; 525.5 Energy Conversion Issues ; 641.1 Thermodynamics ; 702.3 Solar Cells ; 801.4 Physical Chemistry ; 804.1 Organic Compounds ; 951 Materials Science
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	https://ir.lut.edu.cn/handle/2XXMBERH/151313
专题	理学院
通讯作者	Zhang, Cai-Rong
作者单位	1.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Non ferrous Me, Lanzhou 730050, Gansu, Peoples R China; 2.Lanzhou Univ Technol, Dept Appl Phys, Lanzhou 730050, Gansu, Peoples R China; 3.Lanzhou City Univ, Dept Phys, Lanzhou 730070, Peoples R China
第一作者单位	兰州理工大学; 理学院
通讯作者单位	兰州理工大学; 理学院
第一作者的第一单位	兰州理工大学
推荐引用方式 GB/T 7714	Li, Xing-Yu,Zhang, Cai-Rong,Yuan, Li-Hua,et al. A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties[J]. European Physical Journal D,2016,70(10).
APA	Li, Xing-Yu,Zhang, Cai-Rong,Yuan, Li-Hua,Zhang, Mei-Ling,Chen, Yu-Hong,&Liu, Zi-Jiang.(2016).A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties.European Physical Journal D,70(10).
MLA	Li, Xing-Yu,et al."A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties".European Physical Journal D 70.10(2016).