Hydrogen-Location-Sensitive Modulation of the Redox Reactivity for Oxygen-Deficient TiO2
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
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Detail(s)
Original language | English |
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Pages (from-to) | 8407-8411 |
Journal / Publication | Journal of the American Chemical Society |
Volume | 141 |
Issue number | 21 |
Online published | 14 May 2019 |
Publication status | Published - 29 May 2019 |
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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.
Citation Format(s)
Hydrogen-Location-Sensitive Modulation of the Redox Reactivity for Oxygen-Deficient TiO2. / Guo, Yao; Chen, Shunwei; Yu, Yaoguang et al.
In: Journal of the American Chemical Society, Vol. 141, No. 21, 29.05.2019, p. 8407-8411.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review