Abstract
The density functional B3LYP was utilized for scrutinizing the effect of Ag-decoration on the sensing ability of an aluminum phosphide nanotube (AlPNT) to detect acrolein (AC). The pure AlPNT had a weak interaction with AC, and the sensing response was approximately 8.8. There was an increase in the energy of adsorption (Ead) for AC from −6.4 to −23.1 kcal/mol after the decoration of an Ag atom onto the surface of the AlPNT. Following the decoration of Ag, there was also a dramatic increase in the sensing response to 98.5. The recovery time (RT) for the desorption of AC from the surface of the AlPNT that was decorated with Ag at 298 K was 6.8 s. This suggested that the AlPNT that was decorated with Ag might be used as an AC sensor with high sensitivity and a short RT.
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