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Reaction Mechanism ...
Reaction Mechanism of Photocatalytic Hydrogen Production at Water/Tin Halide Perovskite Interfaces
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- Ricciarelli, Damiano (författare)
- Consiglo Nazionale Delle Richerche,Universita degli Studi di Perugia,University of Perugia
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- Kaiser, Waldemar (författare)
- Consiglo Nazionale Delle Richerche
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- Mosconi, E. (författare)
- Consiglo Nazionale Delle Richerche
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- Wiktor, Julia, 1988 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Ashraf, Muhammad Waqar (författare)
- Prince Mohammad Bin Fahd University
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- Malavasi, Lorenzo (författare)
- Universita degli studi di Pavia
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- Ambrosio, Francesco (författare)
- Fondazione Istituto Italiano di Tecnologia,Consiglo Nazionale Delle Richerche,Universita degli Studi di Salerno,University of Salerno
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- De Angelis, F. (författare)
- Universita degli Studi di Perugia,University of Perugia,Prince Mohammad Bin Fahd University,Consiglo Nazionale Delle Richerche
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(creator_code:org_t)
- 2022-03-09
- 2022
- Engelska.
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Ingår i: ACS Energy Letters. - : American Chemical Society (ACS). - 2380-8195. ; 7, s. 1308-1315
- Relaterad länk:
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https://doi.org/10.1...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Kemiteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Chemical Engineering (hsv//eng)
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- art (ämneskategori)
- ref (ämneskategori)
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