Adsorption of Gases on Fullerene-like X12Y12 (X = Be, Mg, Ca, B, Al, Ga, C; Y = C, Si, N, P, O) Nanocages

Density functional theory calculations are carried out to investigate the adsorption behaviors of CO2, NO, CO, and NH3 on 12 fullerene-like X12Y12 (B12N12, Al12N12, Ga12N12, B12P12, Al12P12, Ga12P12, Be12O12, Mg12O12, Ca12O12, C12Si12, C12N12, and C24) nanocages. The molecular electrostatic potentia...

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Veröffentlicht in:	Energy & fuels 2023-09, Vol.37 (18), p.14053-14063
Hauptverfasser:	Geetha Sadasivan Nair, Remya, Narayanan Nair, Arun Kumar, Sun, Shuyu
Format:	Artikel
Sprache:	eng
Schlagworte:	Environmental and Carbon Dioxide Issues
Online-Zugang:	Volltext
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