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• W1605243711 abstract "The OH− and OH adsorption structures on Au55 and Au13 nanoparticles surfaces are analyzed using density functional theory. The most stable OH− adsorption site of Au55 and Au13 nanoparticles is found to be the vertex top site followed by the (111)-(100) edge bridge site. On the contrary, the stability order of OH adsorption is opposite to that of OH−. The adsorption of OH− is calculated to be weaker than that of OH, which shows different charge transfer and interactions with gold surface. Coadsorption on nanoparticles is studied to find that multiple OH− species prefer the most stable sites of single OH− adsorption. The hydrogen bonding between adsorbed OH− on gold surface is a key factor in stabilizing the adsorbates on the Au surface. © 2015 Wiley Periodicals, Inc." @default.
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• W1605243711 date "2015-08-12" @default.
• W1605243711 modified "2023-09-27" @default.
• W1605243711 title "First-principles calculation of OH⁻/OH adsorption on gold nanoparticles" @default.
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• W1605243711 doi "https://doi.org/10.1002/qua.24989" @default.
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