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Insights into the structural, electronic and magnetic properties of V-doped copper clusters: comparison with pure copper clusters

The structural, electronic and magnetic properties of Cu(n+1) and Cu(n)V (n = 1–12) clusters have been investigated by using density functional theory. The growth behaviors reveal that V atom in low-energy Cu(n)V isomer favors the most highly coordinated position and changes the geometry of the thre...

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Detalles Bibliográficos
Autores principales: Die, Dong, Zheng, Ben-Xia, Zhao, Lan-Qiong, Zhu, Qi-Wen, Zhao, Zheng-Quan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4989221/
https://www.ncbi.nlm.nih.gov/pubmed/27534599
http://dx.doi.org/10.1038/srep31978