First-principles study of defect control in thin-film solar cell materials
Author(s): Deng, HX (Deng, Hui-Xiong); Cao, RY (Cao, RuYue); Wei, SH (Wei, Su-Huai)
Source: SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY Volume: 64 Issue: 3 Article Number: 237301 DOI: 10.1007/s11433-020-1634-4 Published: MAR 2021
Abstract: A solar cell is a photovoltaic device that converts solar radiation energy to electrical energy, which plays a leading role in alleviating global energy shortages and decreasing air pollution levels typical of conventional fossil fuels. To render solar cells more efficient, high visible-light absorption rates and excellent carrier transport properties are required to generate high carrier levels and high output voltage. Hence, the core material, i.e., the absorption layer, should have an appropriate direct band gap and be effectively doped by both p- and n-types with minimal carrier traps and recombination centers. Consequently, defect properties of absorbers are critical in determining solar cell efficiency. In this work, we review recent first-principles studies of defect properties and engineering in four representative thin-film solar cells, namely CdTe, Cu(In,Ga)Se-2, Cu2ZnSnS4, and halide perovskites. The focal points include basic electronic and defect properties, existing problems, and possible solutions in engineering defect properties of those materials to optimize solar cell efficiency.
Accession Number: WOS:000608113800001
Author Identifiers:
Author Web of Science ResearcherID ORCID Number
Wei, Suhuai 0000-0003-1563-4738
ISSN: 1674-7348
eISSN: 1869-1927
Full Text: https://link.springer.com/article/10.1007%2Fs11433-020-1634-4