Gold sulfide nanoclusters: A unique core-in-cage structure

De En Jiang; Michael Walter; Sheng Dai

doi:10.1002/chem.201000327

Gold sulfide nanoclusters: A unique core-in-cage structure

De En Jiang, Michael Walter, Sheng Dai

Chemical Sciences Division

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

34 Scopus citations

Abstract

Chemical Equation presantation Core in cage: By using a DFT-based basin-hopping method, we found putative global minima for three gold sulfide nanoclusters, observed in mass spectrometry, that all show a symmetric core-in-cage structure: a metallic Au core inside a cage with S as vertices and Au at the edges (see figure). This core-in-cage structure is distinct from bulk gold sulfide. This work fills the knowledge gap regarding the structure of gold sulfide nanoclusters of ≈ 1 nm.

Original language	English
Pages (from-to)	4999-5003
Number of pages	5
Journal	Chemistry - A European Journal
Volume	16
Issue number	17
DOIs	https://doi.org/10.1002/chem.201000327
State	Published - May 3 2010

Keywords

Basin-hopping
Cluster compounds
Density functional calculations
Global minima
Gold sulfides

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10.1002/chem.201000327

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abstract = "Chemical Equation presantation Core in cage: By using a DFT-based basin-hopping method, we found putative global minima for three gold sulfide nanoclusters, observed in mass spectrometry, that all show a symmetric core-in-cage structure: a metallic Au core inside a cage with S as vertices and Au at the edges (see figure). This core-in-cage structure is distinct from bulk gold sulfide. This work fills the knowledge gap regarding the structure of gold sulfide nanoclusters of ≈ 1 nm.",

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AU - Dai, Sheng

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N2 - Chemical Equation presantation Core in cage: By using a DFT-based basin-hopping method, we found putative global minima for three gold sulfide nanoclusters, observed in mass spectrometry, that all show a symmetric core-in-cage structure: a metallic Au core inside a cage with S as vertices and Au at the edges (see figure). This core-in-cage structure is distinct from bulk gold sulfide. This work fills the knowledge gap regarding the structure of gold sulfide nanoclusters of ≈ 1 nm.

AB - Chemical Equation presantation Core in cage: By using a DFT-based basin-hopping method, we found putative global minima for three gold sulfide nanoclusters, observed in mass spectrometry, that all show a symmetric core-in-cage structure: a metallic Au core inside a cage with S as vertices and Au at the edges (see figure). This core-in-cage structure is distinct from bulk gold sulfide. This work fills the knowledge gap regarding the structure of gold sulfide nanoclusters of ≈ 1 nm.

KW - Basin-hopping

KW - Cluster compounds

KW - Density functional calculations

KW - Global minima

KW - Gold sulfides

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Gold sulfide nanoclusters: A unique core-in-cage structure

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Keywords

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