The role of electronic donor moieties in porphyrin dye sensitizers for solar cells: Electronic structures and excitation related properties

doi:10.1063/1.5001259

CORC > 兰州理工大学 > 兰州理工大学 > 理学院

	The role of electronic donor moieties in porphyrin dye sensitizers for solar cells: Electronic structures and excitation related properties
	Li, Shuai-Hu 1,2; Zhang, Cai-Rong 1,2; Yuan, Li-Hua 2; Zhang, Mei-Ling 2; Chen, Yu-Hong 1,2; Liu, Zi-Jiang 3; Chen, Hong-Shan 4
刊名	JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY
	2017-09
卷号	9 期号:5
关键词	Blue shift Charge transfer Chromophores Dye-sensitized solar cells Electronic structure Electrons Energy conversion Free energy Molecular orbitals Photons Porphyrins Conjugation effects Conversion process Dye regeneration Electron donor moieties Energy variations Excitation properties Power conversion efficiencies Transferred charges
ISSN号	1941-7012
DOI	10.1063/1.5001259
英文摘要	The development and synthesis of novel dye sensitizers are important for improving the power conversion efficiency of dye-sensitized solar cells (DSSCs) in terms of the role of dye sensitizers in photon to electricity energy conversion processes. How the different moieties tune the electronic structures and related properties is the fundamental issue in designing dye sensitizers. Here, the geometries, electronic structures, excitation properties, and free energy variations for electron injection (EI) and dye regeneration (DR) of porphyrin dye sensitizers SM315, GY50, FA, and KS, containing bulky bis(2',4'-bis(hexyloxy)-[1,1'-biphenyl]-4yl) amine, diarylamino group with two hexyl chains, quinolizinoacridine, and triazatruxene as electron donors, respectively, were investigated. The Q bands absorption spectra of FA and KS exhibit a blue-shift relative to those of SM315 and GY50, resulting from weak conjugation effects. The transition configurations and molecular orbital analysis suggest that the electron donors in these dyes are effective chromophores for photon-induced EI in DSSCs. The torsion angle between the electron-donor and the conjugation-bridge has significant effects on electronic structures, excited states, charge transfer (CT) properties, and free energy variations for EI and DR. The transferred charges and CT distances demonstrate that quinolizinoacridine in FA is the most prominent electron donor moiety among these porphyrin dyes. Published by AIP Publishing.
资助项目	National Natural Science Foundation of China[11164016]
WOS研究方向	Science & Technology - Other Topics ; Energy & Fuels
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000414300000011
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/33133]
专题	理学院省部共建有色金属先进加工与再利用国家重点实验室
通讯作者	Zhang, Cai-Rong
作者单位	1.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, 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, Gansu, Peoples R China 4.Northwest Normal Univ, Coll Phys & Elect Engn, Lanzhou 730070, Gansu, Peoples R China
推荐引用方式 GB/T 7714	Li, Shuai-Hu,Zhang, Cai-Rong,Yuan, Li-Hua,et al. The role of electronic donor moieties in porphyrin dye sensitizers for solar cells: Electronic structures and excitation related properties[J]. JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY,2017,9(5).
APA	Li, Shuai-Hu.,Zhang, Cai-Rong.,Yuan, Li-Hua.,Zhang, Mei-Ling.,Chen, Yu-Hong.,...&Chen, Hong-Shan.(2017).The role of electronic donor moieties in porphyrin dye sensitizers for solar cells: Electronic structures and excitation related properties.JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY,9(5).
MLA	Li, Shuai-Hu,et al."The role of electronic donor moieties in porphyrin dye sensitizers for solar cells: Electronic structures and excitation related properties".JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY 9.5(2017).