Adsorption of toxic acrolein gas by Ag-decorated aluminum phosphide nanotubes

• Published in: Solid state communications 2022-02, Vol.343, p.114657, Article 114657
• Main Authors: Cao, Yan, Farahmand, Mehdi, Poor Heravi, Mohammad Reza, Ahmadi, Sheida, Ghaffar Ebadi, Abdol, Abed Jawad, Mohammed
• Format: Article
• Language: English
• Subjects: Acrolein; Aluminum phosphide nanotube; Density functional theory; Electronic properties; Sensor
• ISSN: 0038-1098; 1879-2766
• DOI: 10.1016/j.ssc.2022.114657

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. •Ag-decorated AlP nanotube may be highly sensitive acrolein gas sensor.•The sensing response significantly rises from 7.5 to 98.5 by Ag-decoration.•A short recovery time of 6.8 s is found for the acrolein desorption.