DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules
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DOI: 10.1080/08927022.2017.1295453
Abstract: Abstract To investigate the adsorption behaviour of CS2, CO2, SO2, H2Se and H2S gas molecules on the external surface of (6, 0) single-walled aluminium phosphide nanotube (AlPNT), the density functional theory (DFT) calculations at the… read more here.
Keywords: phosphide nanotube; adsorption; aluminium phosphide; gas molecules ... See more keywords