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• W2040668859 abstract "Interfacial and perimeter sites have been known for their high activity in various reactions on supported gold nanoparticles. We find that the higher activity of interfacial sites in Au13/TiO2(110) toward methanol decomposition originates from charge-transfer-induced Coulomb interaction among the gold, reactant, and reducible TiO2 support, brought about through the formation of an ionic O–Au bond between gold and methoxy in such sites, which turns the participating perimeter gold atom cationic. A direct result of such charge-transfer-induced repulsive interaction between cationic gold and positively charged C moiety of methoxy is activation of the positively charged C moiety of methoxy, as manifested by the pronounced elongation of O–C bond length and the tilting of the methoxy axis, which facilitate reaction of methoxy through C–H scission with the bridge oxygen atoms that are readily available from the reducible support. More generally, our proposed mechanism for the reactivity of the gold/TiO2 interface should hold for oxidation of organic molecules with the structure of R–O–R′, where R and R′ are (saturated) hydrocarbons." @default.
• W2040668859 created "2016-06-24" @default.
• W2040668859 creator A5020848176 @default.
• W2040668859 creator A5031195567 @default.
• W2040668859 date "2013-05-09" @default.
• W2040668859 modified "2023-09-26" @default.
• W2040668859 title "Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au₁₃/TiO₂(110)" @default.
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• W2040668859 doi "https://doi.org/10.1021/ja4010738" @default.
• W2040668859 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23617758" @default.
• W2040668859 hasPublicationYear "2013" @default.
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