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Well-defined linear Au n (n = 2-4) chains encapsulated in SWCNTs: a DFT study

Yiliang Liu1, Yawen Hua2, Anying Yan2

  • 1College of Electrical and Information Engineering, Southwest University for Nationalities, Chengdu, 610041, People's Republic of China. swunliu@163.com.

Journal of Molecular Modeling
|January 5, 2017
PubMed

Keywords:
Density functional theoryElectronic structureLinear Au n (n = 2–4)Translational energy barrier

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