Investigation of the adsorption mechanism of formaldehyde on pure and Pt- doped rutile SnO2 (110) surfaces: a theoretical analysis via first principles study
Abstract:This work presents an extensive study for analysing the adsorption mechanism of formaldehyde on pure and Pt-doped rutile SnO2 (110) surfaces via Density Functional Theory (DFT) method. Out of the two suitable surface sites for Pt-doping, namely, Sn5c and Sn6c, the latter was found to be more suitable for Pt-doping. Three formaldehyde configurations were considered, η1(O)-straight, η1(O)-tilted and η2(O,C)-tilted. It was found that after Pt-substitution, the adsorption energies for η1(O)-tilted and η2(O,C)-tilt… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.