A first-principles study of organic Lewis bases for passivating tin-based perovskite solar cells

Tin-based perovskite solar cells (PSCs) are potential light absorbers for solar cell applications since they are less toxic compared to commonly used lead-based alternatives. Retaining the less stable Sn 2+ state is key to improving the efficiency of tin-based PSCs. Organic Lewis base molecules have...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2024-10, Vol.26 (4), p.2591-25918
Hauptverfasser:	Allen, Oscar J, Wu, Zhenzhen, Kang, Jian, Hinsch, Jack J, Yin, Shiwei, Wang, Yun
Format:	Artikel
Sprache:	eng
Schlagworte:	Density functional theory Dimethyl ether Energy conversion efficiency First principles Lewis base Molecular orbitals Perovskites Phosphonic acids Photovoltaic cells Solar cells Sulfonic acid Tin
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