Theoretical calculations of hydrogen absorption by Sn[O.sub.2] (110) surface: effect of doping and calcination

A pseudopotential plane-wave based density functional theory simulations are used for studying the hydrogen adsorption on rutile Sn[O.sub.2] (110) surface. The studies have shown that the calcinations treatment has critically affected the sensitivity of the hydrogen sensor due to the increase of the binding energy between the Sn[O.sub.2] surface and the adsorbed hydrogen atoms.