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• W2945272308 abstract "Hydrogenated black TiO2 is receiving ever-increasing attention, primarily due to its ability to capture low-energy photons in the solar spectrum and its highly efficient redox reactivity for solar-driven water splitting. However, in-depth physical insight into the redox reactivity is still missing. In this work, we conducted a density functional theory study with Hubbard U correction (DFT+U) based on the model obtained from spectroscopic and aberration-corrected scanning transmission electron microscopy (AC-STEM) characterizations to reveal the synergy among H heteroatoms located at different surface sites where the six-coordinated Ti (Ti6C) atom is converted from an inert trapping site to a site for the interchange of photoexcited electrons. This in-depth understanding may be applicable to the rational design of highly efficient solar-light-harvesting catalysts." @default.
• W2945272308 created "2019-05-29" @default.
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• W2945272308 date "2019-05-14" @default.
• W2945272308 modified "2023-10-16" @default.
• W2945272308 title "Hydrogen-Location-Sensitive Modulation of the Redox Reactivity for Oxygen-Deficient TiO₂" @default.
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• W2945272308 doi "https://doi.org/10.1021/jacs.9b01836" @default.
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