| 1. |
- Coduri, Mauro, et al.
(author)
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Structure-property correlation in oxide-ion and proton conductors for clean energy applications: recent experimental and computational advancements
- 2022
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In: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7496 .- 2050-7488. ; 10, s. 5082-5110
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Research review (peer-reviewed)abstract
- In the last decade, the field of oxide-ion and proton conductors continued to trigger a significant amount of basic research aimed at improving the properties and the comprehension of actual materials, as well as at discovering novel phases. This need comes from the current and future urgent requests of changing our energy management towards cleaner solutions such as solid oxide fuel cells. In this review article, we highlight the most recent advancements in this exciting field by putting particular emphasis on the structure-property correlations in oxide-ion and proton conductors both from an experimental and a computational perspective. Special focus is laid on developments in the area of operando and in situ spectroscopy, machine learning and high-throughput approaches to accelerate the discovery of new and advanced materials.
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| 2. |
- Ricciarelli, Damiano, et al.
(author)
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Reaction Mechanism of Photocatalytic Hydrogen Production at Water/Tin Halide Perovskite Interfaces
- 2022
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In: ACS Energy Letters. - : American Chemical Society (ACS). - 2380-8195. ; 7, s. 1308-1315
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Journal article (peer-reviewed)abstract
- 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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