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

Liu, Shun-Chang; Dai, Chen-Min; Min, Yimeng; Hou, Yi; Proppe, Andrew H; Zhou, Ying; Chen, Chao; Chen, Shiyou et al. · Nat Commun · 2021

basic_science · Level V

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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 ~10<sup>12</sup> cm<sup>-3</sup>. 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<sup>-2</sup>; and 60 thermal cycles from -40 to 85 °C.