The Dion–Jacobson perovskite CsSbCl4: a promising Pb-free solar-cell absorber with optimal bandgap ∼1.4 eV, strong optical absorption ∼105 cm−1, and large power-conversion efficiency above 20%
| Autor: | Jun-jie Shi, Yu-lang Cen, Shi-ming Liu, Min Zhang, Xinqiang Wang, Wen-hui Guo, Juan Du, Hong-xia Zhong, Yong He, Yao-Hui Zhu |
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| Rok vydání: | 2021 |
| Předmět: |
Electron mobility
Materials science Renewable Energy Sustainability and the Environment Band gap business.industry Energy conversion efficiency Photovoltaic system Halide 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences law.invention law Solar cell Optoelectronics General Materials Science 0210 nano-technology business Absorption (electromagnetic radiation) Perovskite (structure) |
| Zdroj: | Journal of Materials Chemistry A. 9:16436-16446 |
| ISSN: | 2050-7496 2050-7488 |
| DOI: | 10.1039/d1ta02969j |
| Popis: | Organic–inorganic hybrid Pb-based halide perovskites, especially the well-known MAPbI3, have shown great promise for photovoltaic applications due to their fast-growing power-conversion efficiency (PCE) and low manufacturing cost. However, their poor ambient stability and Pb-toxicity are still challenging issues for future commercialization. Here, by combining first-principles calculations with large-scale screening, we propose a Pb-free all-inorganic Dion–Jacobson perovskite CsSbCl4, which has an optimal bandgap (∼1.4 eV) in the first place. Our calculations also show that CsSbCl4 possesses high carrier mobility (∼102–104 cm2 V−1 s−1) and strong interband optical absorption (∼105 cm−1). Consequently, its spectroscopic limited maximum efficiency can reach up to ∼27%, similar to MAPbI3. Moreover, the TiO2/CsSbCl4/spiro-OMeTAD junction has a PCE of 20.07%, which can be further enhanced by optimizing parameters, such as absorber defect density. These favourable characteristics of CsSbCl4 make it a potential alternative to Pb-based halide perovskites in photovoltaic devices. |
| Databáze: | OpenAIRE |
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