Theoretical study of the adsorption behaviors of gas molecules on the Au-functionalized MoS2 nanosheets: A search for highly efficient gas sensors
Sign Up to like & getrecommendations! Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112935
Abstract: Abstract Using the density functional theory calculations, we explored the electronic, and magnetic properties of Au and Pt adsorbed MoS2 systems. We examined the binding of some gas molecules (CO, CO2, NH3, NO, NO2, and… read more here.
Keywords: theoretical study; gas; adsorbed mos2; study adsorption ... See more keywords
Improving the gas sensing performance of MoS2 nanosheets through silver adsorption: A theoretical study
Sign Up to like & getrecommendations! Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.113087
Abstract: Abstract By using first principles calculations, we studied the electronic, and structural properties of MoS2 monolayers adsorbed with Ag noble metals. In this regard, we have estimated the adsorption energies to further elaborate the stability… read more here.
Keywords: adsorption; mos2 nanosheets; gas; adsorbed mos2 ... See more keywords