CO adsorption on metal doped 2D InSe:Mechanism and application

A novel-type material based on metal doped 2D InSe (M@2DInSe) has been proposed for CO sensing.The results reveal that the conventional Blyholder mechanism can be applicable to M@2DInSe systems,and the charge transfer between CO and M@2DInSe can serve as an effective measurement for the adsorption energy of CO.In M@2DInSe,the response of electronic structures towards CO adsorption is also strongly correlated with the adsorption energy of CO,demonstrating an apparent metal-to-insulator transition for Fe@2DInSe and Mo@2DInSe under the influence of CO adsorption.These findings provide a new material-design scheme to detect CO molecules and promising candidates for further experimental studies.