甲脒
钙钛矿(结构)
相(物质)
碘化物
材料科学
半导体
密度泛函理论
化学物理
无机化学
化学
光电子学
结晶学
计算化学
有机化学
作者
Carlos Echeverría‐Arrondo,K. M. Muhammed Salim,Sofia Masi,Iván Mora‐Seró
标识
DOI:10.1002/apxr.202200079
摘要
Abstract The black phase of formamidinium lead iodide, FAPbI 3 , is optically active and promising for optoelectronics applications. However, it is difficult to synthesize and stabilize at room temperature since it thermodynamically tends toward the photoinactive yellow phase. Based on density functional theory computations, the potential of PbO semiconductor substrates to stabilize the black phase of FAPbI 3 perovskite is investigated and shown that, interestingly, it can be effectively stabilized over the yellow phase at room temperature when deposited on the polymorphic phase α‐PbO.
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