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|Type:||Artigo de periódico|
|Title:||Mechanochemistry in Cu nanowires: N and N-2 enhancing the atomic chain formation|
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.|
|Editor:||Amer Physical Soc|
|Appears in Collections:||Artigos e Materiais de Revistas Científicas - Unicamp|
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