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2002

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/10808

Adsoption-induced restructuring of gold nanochains

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http://dx.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.

Subject

Adsorció, Teoria del funcional de densitat, Materials nanoestructurats, Propietats de la matèria

Subject (English)

Adsorption, Density functional theory, Nanostructured materials, Properties of matter

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Articles publicats en revistes (Ciència dels Materials i Química Física)

Citation

BAHN, S. R., et al. Adsoption-induced restructuring of gold nanochains. Physical Review B. 2002. Vol. 66, num. 8, pags. 081405-1-081405-4. ISSN 0163-1829. [consulted: 10 of June of 2026]. Available at: https://hdl.handle.net/2445/10808

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