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- Jeantelot, Gabriel, et al. Show all 3 Authors
- Journal of physical chemistry 2019 v.123 no.46 pp. 28210-28218
- anisotropy; crystals; density functional theory; hydrogen; hydrogen production; oxidation; oxygen; oxygen production; photocatalysis; photocatalysts; physical chemistry; titanium dioxide
- ... TiO₂ is considered as one of the most common photocatalysts for UV light-driven photocatalysis. We present here the effect of exposed facets on the photocatalytic features of anatase and rutile TiO₂ crystals using first-principle computations based on the density functional theory (DFT). The four possible low-Miller-index (110), (101), (100), and (001) surfaces of each crystalline phase are invest ...
- Jeantelot, Gabriel, et al. Show all 10 Authors
- Journal of catalysis 2019 v.376 pp. 180-190
- Fourier transform infrared spectroscopy; X-ray absorption spectroscopy; X-ray photoelectron spectroscopy; carbon monoxide; catalysts; density functional theory; hydrogen; oxidation; oxygen; photocatalysis; platinum
- ... The metal cluster size in supported metal catalysts impacts the oxidation state of the metal atoms, coordination capability, and finally the catalytic activity—especially when the number of atoms becomes countable. The correlation between metal oxidation state and its catalytic consequences for ultrafine Pt was studied for photocatalytic overall water splitting using a Pt/SrTiO3 (photo)catalyst. A ...