title: DFT investigations of the hydrogenation effect on silicene/graphene hybrids.
abstract: We report here a study on the effect of hydrogenation on a new one-atom  thick material made of silicon and carbon atoms (silicene/graphene (SG) hybrid) within density functional theory. The structural, electronic and magnetic properties are investigated for non-, semi- and fully hydrogenated SG hybrids in a chair configuration and are compared with their parent materials. Calculations reveal that pure SG is a non-zero band gap semi-conductor with stable planar honeycomb structure. So mixing C and Si in an alternating manner gives another way to generate a finite band gap in one-atom thick materials. Fully hydrogenation makes the gap larger; however half chemical modification with H reduces the gap in favor of ferromagnetism order. The findings of this work open a wide spectrum of possibilities for designing SG-based nanodevices with controlled and tuned properties.
authors.affiliation: LPHE, Modeling and Simulations, Faculty of Science, Mohammed V University, Rabat, Morocco. ldrissi@ictp.it
authors.forename: L B
authors.initials: LB
authors.lastname: Drissi
authors.forename: E H
authors.initials: EH
authors.lastname: Saidi
authors.forename: M
authors.initials: M
authors.lastname: Bousmina
authors.forename: O
authors.initials: O
authors.lastname: Fassi-Fehri