Structure, stability, and electronic property of carbon-doped gold clusters AunC− (n = 1–10): A density functional theory study

Li-Li Yan; Yi-Rong Liu; Teng Huang; Shuai Jiang; Hui Wen; Yan-Bo Gai; Wei-Jun Zhang; Wei Huang

doi:10.1063/1.4852179

Structure, stability, and electronic property of carbon-doped gold clusters AunC− (n = 1–10): A density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.4852179 ◽

2013 ◽

Vol 139 (24) ◽

pp. 244312 ◽

Cited By ~ 29

Author(s):

Li-Li Yan ◽

Yi-Rong Liu ◽

Teng Huang ◽

Shuai Jiang ◽

Hui Wen ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Property ◽

Density Functional ◽

Gold Clusters ◽

Structure Stability ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Doped

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Role of the Support Effects on the Catalytic Activity of Gold Clusters: A Density Functional Theory Study

Catalysts ◽

10.3390/catal1010018 ◽

2011 ◽

Vol 1 (1) ◽

pp. 18-39 ◽

Cited By ~ 33

Author(s):

Min Gao ◽

Andrey Lyalin ◽

Tetsuya Taketsugu

Keyword(s):

Density Functional Theory ◽

Catalytic Activity ◽

Density Functional ◽

Gold Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Support Effects

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Time Dependent Density Functional Theory Study of Magnetic Circular Dichroism Spectra of Gold Clusters Au9(PH3)83+ and Au9(PPh3)83+

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b10063 ◽

2016 ◽

Vol 120 (48) ◽

pp. 9625-9635 ◽

Cited By ~ 11

Author(s):

Natalia V. Karimova ◽

Christine M. Aikens

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Magnetic Circular Dichroism ◽

Gold Clusters ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra ◽

Dependent Density

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Density-functional theory study of the geometries, stabilities, and electronic properties of AunRb (n = 1–10) clusters: comparison with pure gold clusters

Molecular Physics ◽

10.1080/00268976.2011.635160 ◽

2012 ◽

Vol 110 (2) ◽

pp. 95-111 ◽

Cited By ~ 4

Author(s):

Yan-Fei Hu ◽

Gang Jiang ◽

Da-Qiao Meng

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Gold Clusters ◽

Pure Gold ◽

Density Functional Theory Study ◽

Functional Theory

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Structure, stability and magnetic properties of the Fe3O4(110) surface: Density functional theory study

Surface Science ◽

10.1016/j.susc.2006.10.037 ◽

2007 ◽

Vol 601 (3) ◽

pp. 876-882 ◽

Cited By ~ 26

Author(s):

Y.L. Li ◽

K.L. Yao ◽

Z.L. Liu

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Surface Density ◽

Density Functional ◽

Structure Stability ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study on the H2S molecule adsorption onto small gold clusters

Applied Surface Science ◽

10.1016/j.apsusc.2011.02.075 ◽

2011 ◽

Vol 257 (15) ◽

pp. 6546-6553 ◽

Cited By ~ 27

Author(s):

Xiangjun Kuang ◽

Xinqiang Wang ◽

Gaobin Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Gold Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Molecule Adsorption

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A Density Functional Theory Study on the Structure Stability of Silica Nanoclusters

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2013.6114 ◽

2013 ◽

Vol 13 (2) ◽

pp. 1414-1417

Author(s):

Ken-Huang Lin ◽

Hsin-Tsung Chen ◽

Hui-Lung Chen ◽

Jenn-Sen Lin ◽

Shin-Pon Ju ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Structure Stability ◽

Density Functional Theory Study ◽

Functional Theory

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The Structure, Stability, and Reactivity of Mo-oxo Species in H-ZSM5 Zeolites: Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp0640934 ◽

2007 ◽

Vol 111 (5) ◽

pp. 2081-2091 ◽

Cited By ~ 17

Author(s):

Danhong Zhou ◽

Yuan Zhang ◽

Hongyuan Zhu ◽

Ding Ma ◽

Xinihe Bao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Structure Stability ◽

Density Functional Theory Study ◽

Functional Theory

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ChemInform Abstract: Structure, Stability, and Cluster-Cage Interactions in Nitride Clusterfullerenes M3N@C2n (M: Sc, Y; 2n = 68—98): A Density Functional Theory Study.

ChemInform ◽

10.1002/chin.200801086 ◽

2008 ◽

Vol 39 (1) ◽

Author(s):

Alexey A. Popov ◽

Lothar Dunsch

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Structure Stability ◽

Density Functional Theory Study ◽

Functional Theory ◽

Abstract Structure

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Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp104206m ◽

2010 ◽

Vol 114 (43) ◽

pp. 11691-11698 ◽

Cited By ~ 16

Author(s):

Yan-Fang Li ◽

Xiao-Yu Kuang ◽

Su-Juan Wang ◽

Ya-Ru Zhao

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Gold Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Mg Doped

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Structure, Stability, and Cluster-Cage Interactions in Nitride Clusterfullerenes M3N@C2n(M = Sc, Y; 2n= 68−98): a Density Functional Theory Study

Journal of the American Chemical Society ◽

10.1021/ja073809l ◽

2007 ◽

Vol 129 (38) ◽

pp. 11835-11849 ◽

Cited By ~ 191

Author(s):

Alexey A. Popov ◽

Lothar Dunsch

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Structure Stability ◽

Density Functional Theory Study ◽

Functional Theory

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