Electronic transport properties of hydrogenated and fluorinated graphene: a computational study.

Hydrogenation and fluorination have been presented as two possible methods to open a bandgap in graphene, required for field-effect transistor applications. In this work, we present a detailed study of the phonon-limited mobility of electrons and holes in hydrogenated graphene (graphane) and fluorinated graphene (graphene fluoride). We pay special attention to the out-of-plane acoustic (ZA) phonons, responsible for the highest scattering rates in graphane and graphene fluoride.

Monte Carlo Study of Electronic Transport in Monolayer InSe.

The absence of a band gap in graphene makes it of minor interest for field-effect transistors. Layered metal chalcogenides have shown great potential in device applications thanks to their wide bandgap and high carrier mobility. Interestingly, in the ever-growing library of two-dimensional (2D) materials, monolayer InSe appears as one of the new promising candidates, although still in the initial stage of theoretical studies.

Electronic Transport Properties of Silicane Determined from First Principles.

Silicane, a hydrogenated monolayer of hexagonal silicon, is a candidate material for future complementary metal-oxide-semiconductor technology. We determined the phonon-limited mobility and the velocity-field characteristics for electrons and holes in silicane from first principles, relying on density functional theory. Transport calculations were performed using a full-band Monte Carlo scheme.