DFT study of the electronic properties and gas sensing characteristics of the novel Ag2O modified BP/BSe van der Waals heterostructures

DFT study of the electronic properties and gas sensing characteristics of the novel Ag2O modified BP/BSe van der Waals heterostructures

Abstract In this paper, the electronic and adsorption properties of Ag2O metal oxides modified BP/BSe van der Waals heterostructures were investigated using density functional theory calculations. The adsorptions of CO, N2O, NO and NO2 gas molecules on the Ag2O modified BP/BSe heterostructures were...

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Bibliographic Details
Main Author: Amirali Abbasi
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:Scientific Reports
Subjects:
Ag2O-BP/BSe
Heterostructure
Toxic gas
DFT
Adsorption
Online Access:https://doi.org/10.1038/s41598-025-02554-2
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