Gold - thiolate complexes form a unique c(4 × 2) structure on Au(111)

Henrik Grönbeck; Hannu Häkkinen; Robert L. Whetten

doi:10.1021/jp807196u

Gold - thiolate complexes form a unique c(4 × 2) structure on Au(111)

Henrik Grönbeck
, Hannu Häkkinen
, Robert L. Whetten

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

127 Scopus citations

Abstract

On the basis of density functional theory calculations, the structure of alkylthiolates on Au(111) at saturation coverage is presented. A structure that consists of RSAuSR units is energetically preferred over previous suggestions and is consistent with the experimentally observed c(4 × 2) superstructure. Augmented with recent advances concerning the structure of thiolate-protected Au nanoparticles, the present results provide a unified view of thiolate bonding to Au surfaces.

Original language	English (US)
Pages (from-to)	15940-15942
Number of pages	3
Journal	Journal of Physical Chemistry C
Volume	112
Issue number	41
DOIs	https://doi.org/10.1021/jp807196u
State	Published - Oct 16 2008
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
General Energy
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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10.1021/jp807196u

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abstract = "On the basis of density functional theory calculations, the structure of alkylthiolates on Au(111) at saturation coverage is presented. A structure that consists of RSAuSR units is energetically preferred over previous suggestions and is consistent with the experimentally observed c(4 × 2) superstructure. Augmented with recent advances concerning the structure of thiolate-protected Au nanoparticles, the present results provide a unified view of thiolate bonding to Au surfaces.",

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AU - Grönbeck, Henrik

AU - Häkkinen, Hannu

AU - Whetten, Robert L.

PY - 2008/10/16

Y1 - 2008/10/16

N2 - On the basis of density functional theory calculations, the structure of alkylthiolates on Au(111) at saturation coverage is presented. A structure that consists of RSAuSR units is energetically preferred over previous suggestions and is consistent with the experimentally observed c(4 × 2) superstructure. Augmented with recent advances concerning the structure of thiolate-protected Au nanoparticles, the present results provide a unified view of thiolate bonding to Au surfaces.

AB - On the basis of density functional theory calculations, the structure of alkylthiolates on Au(111) at saturation coverage is presented. A structure that consists of RSAuSR units is energetically preferred over previous suggestions and is consistent with the experimentally observed c(4 × 2) superstructure. Augmented with recent advances concerning the structure of thiolate-protected Au nanoparticles, the present results provide a unified view of thiolate bonding to Au surfaces.

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U2 - 10.1021/jp807196u

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AN - SCOPUS:55149107921

SN - 1932-7447

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JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

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ER -

Gold - thiolate complexes form a unique c(4 × 2) structure on Au(111)

Abstract

ASJC Scopus subject areas

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