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

作     者：李依 魏东 郭高甫 赵高 唐亚楠 戴宪起 Yi Li;Dong Wei;Gaofu Guo;Gao Zhao;Yanan Tang;Xianqi Dai

作者机构：School of Physics and Electronic EngineeringZhengzhou Normal UniversityZhengzhou 450044China School of PhysicsHenan Normal UniversityXinxiang 453007China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2022年第31卷第9期

页      面：468-475页

核心收录：

学科分类：08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0703[理学-化学] 0702[理学-物理学] 

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 

主　　题：h-BP h-BAs two-dimensional heterostructure solar cell 

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 ***,the prospects of h-BP/h-BAs vdW heterostructures in 2D excitonic solar cells are *** systematically investigate the electronic properties and optical properties of heterogeneous structures by using the density functional theory(DFT)and first-principles *** results indicate that the heterogeneous structure has good optoelectronic properties,such as a suitable direct bandgap and excellent optical absorption *** calculation of the phonon spectrum also confirms the well-defined kinetic stability of the *** 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.