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Co-modulation effect of endohedral Au atom and anchor S atoms on C20

Authors :
Ye Song
Wang Fangyuan
Wang Jiejun
Li Shu
Yongyin Gan
Wang Xinqiang
Source :
Molecular Physics. 118
Publication Year :
2019
Publisher :
Informa UK Limited, 2019.

Abstract

Density functional theory and the non-equilibrium Green's function are combined to investigate the co-modulation effect of endohedral Au atom and anchor S atoms on C20. In this paper, anchor atoms ...

Details

ISSN :
13623028 and 00268976
Volume :
118
Database :
OpenAIRE
Journal :
Molecular Physics
Accession number :
edsair.doi...........daf2197a2cd63f3443769636cc41fffa
Full Text :
https://doi.org/10.1080/00268976.2019.1651917