C 54 Si 6 heterofullerene as a potential gas sensor for CO, NO, and HCN detection

The adsorption of CO, NO, and HCN molecules on the C 54 Si 6 heterofullerene is investigated on the basis of density functional theory calculations to exploit its potential applications as a gas sensor. The C 54 Si 6 heterofullerene has two highly stable isomers (named isomer- 1 and isomer- 2 ). We...

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Veröffentlicht in:	RSC advances 2016, Vol.6 (92), p.89080-89088
Hauptverfasser:	Yong, Yongliang, Lv, Shijie, Zhang, Ruizhou, Zhou, Qingxiao, Su, Xiangying, Li, Tongwei, Cui, Hongling
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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