Hexagonal boron phosphide and boron arsenide van der Waals heterostructure as high-efficiency solar cell  

作　　者：Yi Li Dong Wei Gaofu Guo Gao Zhao Yanan Tang Xianqi Dai 李依;魏东;郭高甫;赵高;唐亚楠;戴宪起(School of Physics and Electronic Engineering,Zhengzhou Normal University,Zhengzhou 450044,China;School of Physics,Henan Normal University,Xinxiang 453007,China)

机构地区：[1]School of Physics and Electronic Engineering,Zhengzhou Normal University,Zhengzhou 450044,China [2]School of Physics,Henan Normal University,Xinxiang 453007,China

出　　处：《Chinese Physics B》2022年第9期468-475,共8页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.62074053);the Natural Science Foundation of Henan Province,China(Grant Nos.202300410237 and 222300420587);the Program for Science&Technology Innovation Talents in Universities of Henan Province,China(Grant No.18HASTIT030);the Henan Overseas Expertise Introduction CenterforDiscipline Innovaremain tion,China(Grant No.CXJD2019005);the High Performance Computing Center of Henan Normal University,China;the Aid Program for Science and Technology Innovative Research Team of Zhengzhou Normal University,China.

摘　　要：The rapid development of two-dimensional(2D)materials offers new opportunities for 2D ultra-thin excitonic solar cells(XSCs).The construction of van der Waals heterostructure(vdWH)is a recognised and effective method of integrating the properties of single-layer 2D materials,creating particularly superior performance.Here,the prospects of h-BP/h-BAs vdW heterostructures in 2D excitonic solar cells are assessed.We systematically investigate the electronic properties and optical properties of heterogeneous structures by using the density functional theory(DFT)and first-principles calculations.The results indicate that the heterogeneous structure has good optoelectronic properties,such as a suitable direct bandgap and excellent optical absorption properties.The calculation of the phonon spectrum also confirms the well-defined kinetic stability of the heterstructure.We design the heterogeneous structure as a model for solar cells,and calculate its solar cell power conversion efficiency which reaches up to 16.51%and is higher than the highest efficiency reported in organic solar cells(11.7%).Our work illustrates the potential of h-BP/h-BAs heterostructure as a candidate for high-efficiency 2D excitonic solar cells.

关 键 词：h-BP h-BAs two-dimensional heterostructure solar cell 

分 类 号：TM914.4[电气工程—电力电子与电力传动] TB34[一般工业技术—材料科学与工程]