Adsorption-induced restructuring of gold nanochains
Open Access
- 29 August 2002
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 66 (8) , 081405
- https://doi.org/10.1103/physrevb.66.081405
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.Keywords
This publication has 26 references indexed in Scilit:
- Mechanical Properties and Formation Mechanisms of a Wire of Single Gold AtomsPhysical Review Letters, 2001
- Real-time imaging of atomistic process in one-atom-thick metal junctionsPhysical Review B, 2001
- Signature of Atomic Structure in the Quantum Conductance of Gold NanowiresPhysical Review Letters, 2000
- Electronic structure and dimerization of a single monatomic gold wireChemical Physics Letters, 2000
- Stiff Monatomic Gold Wires with a Spinning Zigzag GeometryPhysical Review Letters, 1999
- Gold Nanowires and Their Chemical ModificationsThe Journal of Physical Chemistry B, 1999
- Quantized conductance through individual rows of suspended gold atomsNature, 1998
- Formation and manipulation of a metallic wire of single gold atomsNature, 1998
- Mechanical deformation of atomic-scale metallic contacts: Structure and mechanismsPhysical Review B, 1998
- Atomistic simulation of the stretching of nanoscale metal wiresMolecular Physics, 1997