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- Duan, Xuezhi, et al. Show all 9 Authors
- Industrial & engineering chemistry process design and development 2019 v.58 no.33 pp. 15119-15126
- active sites; catalysts; catalytic activity; chemical bonding; desorption; dissociation; energy; gold; hydrogen; hydrogen peroxide; hydrogenation; oxygen; process design
- ... Fundamental understanding of the structure sensitivity of Au-catalyzed H₂O₂ formation from H₂ with O₂ is of prime scientific and industrial significance. Herein, DFT calculations are employed to reveal the underling nature of the site-dependent H₂O₂ formation activity and selectivity over three typical Au(111), Au(100), and Au(211) sites. The hydrogen dissociation is suggested as the rate-determin ...
- Duan, Xuezhi, et al. Show all 8 Authors
- Journal of catalysis 2019 v.372 pp. 142-150
- Fourier transform infrared spectroscopy; activation energy; active sites; borates; catalysts; catalytic activity; cobalt; dissociation; heterolytic cleavage; hydrogen; hydrogenation; isotopes; kinetics; moieties; nanosheets; physicochemical properties
- ... Precisely controlling the surface physicochemical properties of a solid is critical to construct novel catalytic sites for various heterogeneous catalytic reactions. Herein, the interfacial frustrated Lewis pairs on cobalt borate (CoBOx) nanosheets are constructed by the surface hydroxyl on the top of one surface Co atom as the independent Lewis basic site and adjacent interfacial cobalt ion as th ...