Interaction of gold clusters with a hydroxylated surface

De En Jiang; Steven H. Overbury; Sheng Dai

doi:10.1021/jz200420t

Interaction of gold clusters with a hydroxylated surface

De En Jiang, Steven H. Overbury, Sheng Dai

Chemical Sciences Division

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37 Scopus citations

Abstract

We explore the interaction between gold nanoclusters and a fully hydroxylated surface, Mg(OH)₂s basal plane, by using a density functional theory-enabled local basin-hopping technique for global-minimum search. We find strong interaction of gold nanoclusters with the surface hydroxyls via a short bond between edge Au atoms and O atoms of the -OH groups. We expect that this strong interaction is ubiquitous on hydroxylated support surfaces and helps the gold nanoclusters against sintering, thereby contributing to their CO-oxidation activity at low temperatures.

Original language	English
Pages (from-to)	1211-1215
Number of pages	5
Journal	Journal of Physical Chemistry Letters
Volume	2
Issue number	10
DOIs	https://doi.org/10.1021/jz200420t
State	Published - May 19 2011

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10.1021/jz200420t

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abstract = "We explore the interaction between gold nanoclusters and a fully hydroxylated surface, Mg(OH)2s basal plane, by using a density functional theory-enabled local basin-hopping technique for global-minimum search. We find strong interaction of gold nanoclusters with the surface hydroxyls via a short bond between edge Au atoms and O atoms of the -OH groups. We expect that this strong interaction is ubiquitous on hydroxylated support surfaces and helps the gold nanoclusters against sintering, thereby contributing to their CO-oxidation activity at low temperatures.",

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AB - We explore the interaction between gold nanoclusters and a fully hydroxylated surface, Mg(OH)2s basal plane, by using a density functional theory-enabled local basin-hopping technique for global-minimum search. We find strong interaction of gold nanoclusters with the surface hydroxyls via a short bond between edge Au atoms and O atoms of the -OH groups. We expect that this strong interaction is ubiquitous on hydroxylated support surfaces and helps the gold nanoclusters against sintering, thereby contributing to their CO-oxidation activity at low temperatures.

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Interaction of gold clusters with a hydroxylated surface

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