Role of Hydroxyl Group in CO Adsorption on SnO2 (110) Surface Investigated by a First-principle Study

Authors

N. Bouchelarem
Department of physic, LASICOM Laboratory, University of Blida 1
F. Bouamra
Department of physic, LASICOM Laboratory, University of Blida 1
M. Derbal
Department of physic, LASICOM Laboratory, University of Blida 1

Synopsis

Tin dioxide SnO2 is a wide band gap (3.6 eV) n-type semiconductor with rutile bulk structure1. It has a wide application in solar cells, catalysis and gas sensors2,3. SnO2 (110) surface is the most stable one thermodynamically among the low-index surfaces, which is usually covered with hydroxyl groups (OH) formed by dissociative chimisorption of H2O. Their presence on the surface influences the adsorption of molecules such as CO,4 NO2,5…etc. The aim of this work is to investigate the adsorption of CO on SnO2 (110) surface in the presence of hydroxyl group.

ICCAP2021
Published
March 8, 2022