卤化物
锡
钙钛矿(结构)
光催化
制氢
光催化分解水
反应性(心理学)
材料科学
卤素
氢
金属
分解水
无机化学
化学
光化学
纳米技术
催化作用
结晶学
有机化学
医学
烷基
替代医学
病理
作者
Damiano Ricciarelli,Walter Kaiser,Edoardo Mosconi,Julia Wiktor,Muhammad Waqar Ashraf,Lorenzo Malavasi,Francesco Ambrosio,Filippo De Angelis
出处
期刊:ACS energy letters
[American Chemical Society]
日期:2022-03-09
卷期号:7 (4): 1308-1315
被引量:25
标识
DOI:10.1021/acsenergylett.2c00122
摘要
While instability in aqueous environment has long impeded employment of metal halide perovskites for heterogeneous photocatalysis, recent reports have shown that some particular tin halide perovskites (THPs) can be water-stable and active in photocatalytic hydrogen production. To unravel the mechanistic details underlying the photocatalytic activity of THPs, we compare the reactivity of the water-stable and active DMASnBr3 (DMA = dimethylammonium) perovskite against prototypical MASnI3 and MASnBr3 compounds (MA = methylammonium), employing advanced electronic–structure calculations. We find that the binding energy of electron polarons at the surface of THPs, driven by the conduction band energetics, is cardinal for photocatalytic hydrogen reduction. In this framework, the interplay between the A-site cation and halogen is found to play a key role in defining the photoreactivity of the material by tuning the perovskite electronic energy levels. Our study, by elucidating the key steps of the reaction, may assist in development of more stable and efficient materials for photocatalytic hydrogen reduction.
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