Efficient doping of functionalized graphene and h-BN by molecular adsorption
Shiyang Fu,
Yuhan Yang,
Mai Zhang
et al.
Abstract:In this work, we investigate the structural and electronic properties of molecular acceptors and donors adsorbed on H/F-functionalized graphene and h-BN by using first principles calculation. Graphane adsorbed with acceptors show p-type doping features, and fluorographene with donors are n-type doping. On the other hand, both H- and Ffunctionalized BN adsorbed systems exhibit n-type doping. The different doping characteristics depend on the relative energy level alignment of the molecules and substrates, which… Show more
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