Proceedings of 13th Conference on Hybrid and Organic Photovoltaics (HOPV21)
Publication date: 11th May 2021
Environmentally friendly lead-free halide double perovskites with improved stability are regarded as one of the most promising alternatives to lead halide perovskites. The benchmark double perovskite Cs2AgBiBr6 is the most famous and most studied compound. It shows attractive optical and electronic features, making it promising for high-efficiency optoelectronic devices. However, the poor absorption profiles caused by the large bandgap limits its further applications, especially for photovoltaics. Here, we applied two strategies, namely metal doping and crystal synthesis engineering, to improve the absorption properties of the benchmark Cs2AgBiBr6. For metal doping strategy, we choose Cu as dopant and achieve new modified double perovskites Cs2(Ag:Cu)BiBr6. The absorption band edge of Cs2AgBiBr6 to the near‐infrared range is significantly broadened after Cu-doping. This due to Cu ions introduces defect state (subbandgap state) in the bandgap. More interestingly, the subbandgap state can generate band carriers upon excitation, which provides a great potential for using such doped material for near‐infrared light detection. Another straightforward method to broaden the absorption band edge of Cs2AgBiBr6 is to decrease its bandgap. We achieve the smallest reported band gap Cs2AgBiBr6 through simply controlling the growth temperature of single crystals. The Cs2AgBiBr6 crystal prepared from high evaporation temperature (150 °C) shows a significant band gap narrowing (ca. 0.26 eV) compared with that prepared from the low evaporation temperature (60 °C). We hypothesize that this band gap narrowing is caused by an increased level of Ag–Bi disorder. These two works shed new light on the absorption modulation of halide double perovskites for future efficient optoelectronic devices.
I thank all the co-authors for their contributions, including Johan Klarbring, Feng Wang, Weihua Ning, Linqin Wang, Chunyang Yin,Jose Silvestre Mendoza Figueroa, Christian Kolle Christensen, Martin Etter, Thomas Ederth, Licheng Sun, Sergei I. Simak, Igor A. Abrikosov, Yuqing Huang, Libor Kobera, Fangyan Xie, Jiri Brus, Chunyang Yin, Irina A. Buyanova, Weimin M. Chen and Feng Gao. This work was financially supported by Knut and Alice Wallenberg Foundation, the Swedish Energy Agency (2018‐004357), VR Starting Grant (2019‐05279), Carl Tryggers Stiftelse, Olle Engkvist Byggmästare Stiftelse, and the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO‐Mat‐LiU No. 2009‐00971).Theoretical analysis of calculated properties was supported by the Ministry of Science and High Education of the Russian Federation in the framework of MegaGrant (no. 075‐15‐2019‐872 (14.Y26.31.0027/074‐02‐2018‐327)). The computations were enabled by resources provided by the Swedish National Infrastructure for Computing (SNIC) at the PDC Centre for High Performance Computing (PDC‐HPC) and the National Supercomputer Center (NSC) partially funded by the Swedish Research Council through grant agreement no. 2016‐07213. F.J. was supported by the China Scholarship Council (CSC).
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