Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/64427
Type: Artigo de periódico
Title: Effect of impurities in the large Au-Au distances in gold nanowires
Author: Novaes, FD
da Silva, AJR
da Silva, EZ
Fazzio, A
Abstract: Experimentally obtained atomically thin gold nanowires have presented exceedingly large Au-Au interatomic distances before they break. Since no theoretical calculations of pure gold nanowires have been able to produce such large distances, we have investigated, through ab initio calculations, how impurities could affect them. We have studied the effect of H, B, C, N, O, and S impurities on the nanowire electronic and structural properties, in particular how they affect the maximum Au-Au bond length. We find that the most likely candidates to explain the distances in the range of 3.6 Angstrom and 4.8 Angstromare H and S impurity atoms, respectively.
Country: EUA
Editor: American Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevLett.90.036101
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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