2005/09/20 by Frederico D. Novaes, Antônio J. R. da Silva, Antonio J. R. da Silva +2 · 71 citations
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Ab initio #Ab initio quantum chemistry methods #Atom (system on chip) #Atomic physics #Chemical physics #Chemistry #Computational chemistry #Condensed matter physics #Density functional theory #Graphene research and applications #Materials science #Molecular Junctions and Nanostructures #Molecular physics #Molecule #Nanotechnology #Nanowire #Oxygen #Oxygen atom #Physics #Quantum mechanics #Semiconductor materials and devices #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · open access · doi:10.1103/physrevlett.96.016104
published in Physical Review Letters 96(1), 016104 (American Physical Society) · 4 pages; 4 figures
arxiv created 2005/09/20 · openalex publication_date 2006/01/04 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We investigate how the insertion of an oxygen atom in an atomically thin gold nanowire can affect its rupture. We find, using ab initio total energy density functional theory calculations, that O atoms when inserted in gold nanowires form not only stable but also very strong bonds, in such a way that they can extract atoms from a stable tip, serving in this way as a clamp that could be used to pull a string of gold atoms.