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Published on: March 2, 2021
Theoretical Design of Inorganic Flexible Bulk Photovoltaic Materials
Yang Huang1, Tao Zhang2, Ruixin Yu1
1Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, China.
Abstract:
Current flexible photovoltaics (PVs) are usually based on low-dimensional structures of inorganic semiconductors and hybrid perovskites, as well as organic materials. Here, we propose a type of inorganic flexible bulk PV material, evaluating its structure flexibility, electronic structure, and PV efficiency in the framework of density functional theory, suggesting α-Ag2S as the best candidate. It is found that the band structure and effective masses of α-Ag2S can be significantly modulated by external strain, whereas leaving the high PV efficiency was not affected much. The flexibility of α-Ag2S can be further enhanced by applying electron doping during stretching or applying hole doping during compression. We further studied the intrinsic defect properties of α-Ag2S by using the Heyd-Scuseria-Ernzerhof hybrid functional, and the calculation results show that α-Ag2S is a defect-tolerant semiconductor even when an external strain is applied. Our results open the door for searching inorganic flexible bulk PV materials for robust flexible solar cells.
