Photovoltaic Effect Related to Methylammonium Cation Orientation and Carrier Transport Properties in High-Performance Perovskite Solar Cells

doi:10.1021/acsami.9b18452

	Photovoltaic Effect Related to Methylammonium Cation Orientation and Carrier Transport Properties in High-Performance Perovskite Solar Cells
	Liu, Ya-Qing 1,3; Wei, Dongshan 2; Cui, Hong-Liang 1,3; Wang, De-Qang 3
刊名	ACS APPLIED MATERIALS & INTERFACES
	2020-01-22
卷号	12 期号:3 页码:3563-3571
关键词	photocurrent cation orientation transport properties incident angle photon energy polarization angle
ISSN号	1944-8244
DOI	10.1021/acsami.9b18452
通讯作者	Cui, Hong-Liang(hcui@jlu.edu.cn) ; Wang, De-Qang(dqwang@cigit.ac.cn)
英文摘要	Solar cells based on organic-inorganic hybrid halide perovskites (OIHHPs) have been widely studied because of their increasing power conversion efficiency. Extensive research has been conducted in electrical and optical properties and device fabrication. However, in terms of material science, the photovoltaic effects of OIHHP are still not well understood. Here, we theoretically investigate the photovoltaic phenomena of MAPbI(3) (MA = CH3NH3+) under standard AM 1.5G sunlight illumination, considering the MA cation orientation, light incident angle, polarization, and photon energy, using Keldysh nonequilibrium Green's function formalism combined with density functional theory calculations. It is found that the short-circuit current density J(sc) has a maximum value of 383.149 A/m(2) when the MA orientation is parallel to the transport direction, whereas it is negligible when the MA orientation is orthogonal to the transport direction. In addition, full consideration is also given to the direction of incidence of sunlight and its polarization state. Nevertheless, of all factors considered, MA orientation plays the decisive role, for J(sc) still has a respectable value of 364.112 A/m(2) even for a 90 degrees sunlight incident angle relative to the transport direction, so long as the MAs are aligned in the transport direction. The increase in the photocurrent is attributed to an increase in the transmission coefficient of low-energy holes, as well as improvement of the velocities and mobilities of electrons and holes in the MAPbI(3)-based device with [001] MA orientation. The results suggest that during the designing of high-performance OIHHP-based solar cells and photoelectronic devices, the crystal orientation and MA cation orientation relative to the transport direction should be carefully considered as they directly affect carrier transport properties.
资助项目	National Key Research and Development Program of China[2017YFF0106303] ; National Key Research and Development Program of China[2016YFC0101300] ; National Key Research and Development Program of China[2016YFC0101002] ; National Natural Science Foundation of China[31400625] ; National Natural Science Foundation of China[61605206]
WOS研究方向	Science & Technology - Other Topics ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000509428300026
内容类型	期刊论文
源URL	[http://119.78.100.138/handle/2HOD01W0/10201]
专题	中国科学院重庆绿色智能技术研究院
通讯作者	Cui, Hong-Liang; Wang, De-Qang
作者单位	1.Jilin Univ, Coll Instrumentat & Elect Engn, Changchun 130061, Peoples R China 2.Dongguan Univ Technol, Sch Elect Engn, Dongguan 523808, Peoples R China 3.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing Key Lab Multiscale Mfg Technol, Chongqing 400714, Peoples R China
推荐引用方式 GB/T 7714	Liu, Ya-Qing,Wei, Dongshan,Cui, Hong-Liang,et al. Photovoltaic Effect Related to Methylammonium Cation Orientation and Carrier Transport Properties in High-Performance Perovskite Solar Cells[J]. ACS APPLIED MATERIALS & INTERFACES,2020,12(3):3563-3571.
APA	Liu, Ya-Qing,Wei, Dongshan,Cui, Hong-Liang,&Wang, De-Qang.(2020).Photovoltaic Effect Related to Methylammonium Cation Orientation and Carrier Transport Properties in High-Performance Perovskite Solar Cells.ACS APPLIED MATERIALS & INTERFACES,12(3),3563-3571.
MLA	Liu, Ya-Qing,et al."Photovoltaic Effect Related to Methylammonium Cation Orientation and Carrier Transport Properties in High-Performance Perovskite Solar Cells".ACS APPLIED MATERIALS & INTERFACES 12.3(2020):3563-3571.