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An antibonding valence band maximum enables defect-tolerant and stable GeSe photovoltaics

Shun-Chang Liu, Chen-Min Dai, Yimeng Min, Yi Hou, Andrew H. Proppe, Ying Zhou, Chao Chen, Shiyou Chen, Jiang Tang, Ding-Jiang Xue (), Edward H. Sargent () and Jin-Song Hu ()
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Shun-Chang Liu: Institute of Chemistry, Chinese Academy of Sciences
Chen-Min Dai: East China Normal University
Yimeng Min: Department of Electrical and Computer Engineering, University of Toronto
Yi Hou: Department of Electrical and Computer Engineering, University of Toronto
Andrew H. Proppe: Department of Electrical and Computer Engineering, University of Toronto
Ying Zhou: Huazhong University of Science and Technology
Chao Chen: Huazhong University of Science and Technology
Shiyou Chen: East China Normal University
Jiang Tang: Huazhong University of Science and Technology
Ding-Jiang Xue: Institute of Chemistry, Chinese Academy of Sciences
Edward H. Sargent: Department of Electrical and Computer Engineering, University of Toronto
Jin-Song Hu: Institute of Chemistry, Chinese Academy of Sciences

Nature Communications, 2021, vol. 12, issue 1, 1-7

Abstract: Abstract In lead–halide perovskites, antibonding states at the valence band maximum (VBM)—the result of Pb 6s-I 5p coupling—enable defect-tolerant properties; however, questions surrounding stability, and a reliance on lead, remain challenges for perovskite solar cells. Here, we report that binary GeSe has a perovskite-like antibonding VBM arising from Ge 4s-Se 4p coupling; and that it exhibits similarly shallow bulk defects combined with high stability. We find that the deep defect density in bulk GeSe is ~1012 cm−3. We devise therefore a surface passivation strategy, and find that the resulting GeSe solar cells achieve a certified power conversion efficiency of 5.2%, 3.7 times higher than the best previously-reported GeSe photovoltaics. Unencapsulated devices show no efficiency loss after 12 months of storage in ambient conditions; 1100 hours under maximum power point tracking; a total ultraviolet irradiation dosage of 15 kWh m−2; and 60 thermal cycles from −40 to 85 °C.

Date: 2021
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DOI: 10.1038/s41467-021-20955-5

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