Adsorption-induced  restructuring of gold  nanochains

Sune Rastad Bahn; Nuria Lopez; Jens Kehlet Nørskov; Karsten Wedel Jacobsen

doi:10.1103/PhysRevB.66.081405

Adsorption-induced restructuring of gold nanochains

Sune Rastad Bahn, Nuria Lopez, Jens Kehlet Nørskov, Karsten Wedel Jacobsen

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Abstract

The chemical properties of single-atomic chains of gold atoms are investigated using density functional calculations. The nanochains are shown to be unusually chemically active with strong chemisorption of oxygen atoms and carbon monoxide. The chemisorption energies vary significantly with the strain/stress conditions for the chain. Oxygen atoms are found to energetically prefer to get incorporated into a chain forming a new type of gold-oxygen nanochain with a conductance of one quantum unit. We suggest that the long bond lengths observed in electron microscopy investigations of gold chains can be due to oxygen incorporation.

Original language	English
Journal	Physical Review B Condensed Matter
Volume	66
Issue number	8
Pages (from-to)	081405
ISSN	0163-1829
DOIs	https://doi.org/10.1103/PhysRevB.66.081405
Publication status	Published - 2002

Bibliographical note

Copyright (2002) American Physical Society

Keywords

ELECTRONIC-STRUCTURE
SURFACE
ATOMS
CONDUCTANCE
CATALYSIS
METALS
NANOWIRES
WIRE
OXYGEN
MECHANISMS

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title = "Adsorption-induced restructuring of gold nanochains",

abstract = "The chemical properties of single-atomic chains of gold atoms are investigated using density functional calculations. The nanochains are shown to be unusually chemically active with strong chemisorption of oxygen atoms and carbon monoxide. The chemisorption energies vary significantly with the strain/stress conditions for the chain. Oxygen atoms are found to energetically prefer to get incorporated into a chain forming a new type of gold-oxygen nanochain with a conductance of one quantum unit. We suggest that the long bond lengths observed in electron microscopy investigations of gold chains can be due to oxygen incorporation.",

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note = "Copyright (2002) American Physical Society",

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doi = "10.1103/PhysRevB.66.081405",

language = "English",

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T1 - Adsorption-induced restructuring of gold nanochains

AU - Bahn, Sune Rastad

AU - Lopez, Nuria

AU - Nørskov, Jens Kehlet

AU - Jacobsen, Karsten Wedel

N1 - Copyright (2002) American Physical Society

PY - 2002

Y1 - 2002

N2 - The chemical properties of single-atomic chains of gold atoms are investigated using density functional calculations. The nanochains are shown to be unusually chemically active with strong chemisorption of oxygen atoms and carbon monoxide. The chemisorption energies vary significantly with the strain/stress conditions for the chain. Oxygen atoms are found to energetically prefer to get incorporated into a chain forming a new type of gold-oxygen nanochain with a conductance of one quantum unit. We suggest that the long bond lengths observed in electron microscopy investigations of gold chains can be due to oxygen incorporation.

AB - The chemical properties of single-atomic chains of gold atoms are investigated using density functional calculations. The nanochains are shown to be unusually chemically active with strong chemisorption of oxygen atoms and carbon monoxide. The chemisorption energies vary significantly with the strain/stress conditions for the chain. Oxygen atoms are found to energetically prefer to get incorporated into a chain forming a new type of gold-oxygen nanochain with a conductance of one quantum unit. We suggest that the long bond lengths observed in electron microscopy investigations of gold chains can be due to oxygen incorporation.

KW - ELECTRONIC-STRUCTURE

KW - SURFACE

KW - ATOMS

KW - CONDUCTANCE

KW - CATALYSIS

KW - METALS

KW - NANOWIRES

KW - WIRE

KW - OXYGEN

KW - MECHANISMS

U2 - 10.1103/PhysRevB.66.081405

DO - 10.1103/PhysRevB.66.081405

M3 - Journal article

SN - 0163-1829

VL - 66

SP - 081405

JO - Physical Review B Condensed Matter

JF - Physical Review B Condensed Matter

IS - 8

ER -