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

Research output: Contribution to journal › Article › peer-review

41 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

Access to Document

10.1021/jz200420t

Cite this

@article{6f85564305d04f3aa009939e7107536c,

title = "Interaction of gold clusters with a hydroxylated surface",

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.",

author = "Jiang, \{De En\} and Overbury, \{Steven H.\} and Sheng Dai",

year = "2011",

month = may,

day = "19",

doi = "10.1021/jz200420t",

language = "English",

volume = "2",

pages = "1211--1215",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

number = "10",

}

TY - JOUR

T1 - Interaction of gold clusters with a hydroxylated surface

AU - Jiang, De En

AU - Overbury, Steven H.

AU - Dai, Sheng

PY - 2011/5/19

Y1 - 2011/5/19

N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/79957616476

U2 - 10.1021/jz200420t

DO - 10.1021/jz200420t

M3 - Article

AN - SCOPUS:79957616476

SN - 1948-7185

VL - 2

SP - 1211

EP - 1215

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 10

ER -

Interaction of gold clusters with a hydroxylated surface

Abstract

Access to Document

Other files and links

Fingerprint

Cite this