Structure of Au 8: Planar or nonplanar?

Young Kyu Han

doi:10.1063/1.2150814

Structure of Au ₈: Planar or nonplanar?

Young Kyu Han

Department of Energy and Materials Engineering

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

98 Scopus citations

Abstract

We have studied the structures and stabilities of Au6 and Au8 at the density-functional theory (DFT) and ab initio correlated levels of theory. For Au8, our ab initio calculations predict the lowest Au8 isomer to be planar, in line with the DFT calculations.

Original language	English
Article number	024316
Journal	Journal of Chemical Physics
Volume	124
Issue number	2
DOIs	https://doi.org/10.1063/1.2150814
State	Published - 2006

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title = "Structure of Au 8: Planar or nonplanar?",

abstract = "We have studied the structures and stabilities of Au6 and Au8 at the density-functional theory (DFT) and ab initio correlated levels of theory. For Au8, our ab initio calculations predict the lowest Au8 isomer to be planar, in line with the DFT calculations.",

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Structure of Au ₈: Planar or nonplanar?

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