Tunable bandgap and magnetic ordering by adsorption of molecules on graphene

Abstract

We have studied the electronic and magnetic properties of graphene and their modification due to the adsorption of water and other gas molecules. Water and gas molecules adsorbed on nanoscale graphene were found to play the role of defects which facilitate the tunability of the bandgap and allow us to control the magnetic ordering of localized states at the edges. The adsorbed molecules push the wavefunctions corresponding to $\alpha$-spin (up) and $\beta$-spin (down) states of graphene to the opposite (zigzag) edges. This breaks the sublattice and molecular point group symmetry that results in opening of a large bandgap. The efficiency of the wavefunction displacement depends strongly on the type of molecules adsorbed

4 pages, 4 figures

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• Water on graphene: Review of recent progress
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• Work Function of Single-wall Silicon Carbide Nanotube
• A QM/MD coupling method to model the ion-induced polarization of graphene
• Doping graphene by adsorption of polar molecules at the oxidized zigzag edges
• Adatoms in graphene as a source of current polarization: Role of the local magnetic moment
• Silicon and silicon-nitrogen impurities in graphene: structure, energetics and effects on electronic transport
• Impurity induced spin gap asymmetry in nanoscale graphene
• Formation of localized magnetic states in graphene in hollow-site adsorbed adatoms
• Zipping and unzipping of nanoscale carbon structures
• The Bulk Penetration of Edge Properties in Two-Dimensional Materials
• Electric field control of spins in bilayer graphene: Local moment formation and local moment interactions