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Type: Artigo de periódico
Title: Mechanochemistry in Cu nanowires: N and N-2 enhancing the atomic chain formation
Author: Amorim, EPM
da Silva, EZ
Abstract: We show using ab initio total-energy calculations based on density-functional theory how H, B, C, N, O, S, and N-2 impurities incorporated to thin copper nanowires could affect their mechanical properties and electronic structure. An interesting mechanochemical effect arises from the insertion of N and N-2 in the linear atomic chain. These impurities form not only stable but also very strong p-d bonds, in such a way that they can extract atoms from a stable tip enhancing the atomic chain suggesting the possibility to pull a string of copper atoms through the production of copper nanowires in nitrogen atmospheres.
Country: EUA
Editor: Amer Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.82.153403
Date Issue: 2010
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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