Hydrogen, methane and water adsorption on a carbon-silicon surface
POSTER
Abstract
Density functional theory and molecular dynamics were used at 300 K to study the adsorption of several molecules on a graphene layer modified with silicon, with the \textit{Si} atoms located substitutionally. We studied the adsorption of H$_{2}$, CH$_{4}$, H$_{2}$O.
*We acknowledge partial financial support by grant DGAPA-UNAM number IN111807 and the technical assistance of Kanbalam supercomputer center, UNAM.