Title: Properties of In-Plane Graphene/MoS2 Heterojunctions,
Abstract: The graphene/MoS2 heterojunction formed by joining the two components
laterally in a single plane promises to exhibit a low-resistance contact
according to the Schottky-Mott rule. Here we provide an atomic-scale
description of the structural, electronic, and magnetic properties of this type
of junction. We first identify the energetically favorable structures in which
the preference of forming C-S or C-Mo bonds at the boundary depends on the
chemical conditions. We find that significant charge transfer between graphene
and MoS2 is localized at the boundary. We show that the abundant 1D boundary
states substantially pin the Fermi level in the lateral contact between
graphene and MoS2, in close analogy to the effect of 2D interfacial states in
the contacts between 3D materials. Furthermore, we propose specific ways in
which these effects can be exploited to achieve spin-polarized currents.