A pursuit to design highly sensitive fullerene-based sensors: adsorption and dissociation phenomenon of toxic sulfur gases on B40 fullerene
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4279-x
Abstract: The adsorption phenomenon of toxic sulfur gases namely H2S and SO2 on B40 fullerene is scrutinized utilizing density functional theory-non-equilibrium Green’s function (DFT-NEGF) regime. Adsorption of gas molecules is considered at both the hexagonal and… read more here.
Keywords: adsorption; phenomenon toxic; fullerene; b40 fullerene ... See more keywords