title: Fluorinated graphene and hexagonal boron nitride as ALD seed layers for graphene-based van der Waals heterostructures.
abstract: Ultrathin dielectric materials prepared by atomic-layer-deposition (ALD) technology are commonly used in graphene electronics. Using the first-principles density functional theory calculations with van der Waals (vdW) interactions included, we demonstrate that single-side fluorinated graphene (SFG) and hexagonal boron nitride (h-BN) exhibit large physical adsorption energy and strong electrostatic interactions with H2O-based ALD precursors, indicating their potential as the ALD seed layer for dielectric growth on graphene. In graphene-SFG vdW heterostructures, graphene is n-doped after ALD precursor adsorption on the SFG surface caused by vertical intrinsic polarization of SFG. However, graphene-h-BN vdW heterostructures help preserving the intrinsic characteristics of the underlying graphene due to in-plane intrinsic polarization of h-BN. By choosing SFG or BN as the ALD seed layer on the basis of actual device design needs, the graphene vdW heterostructures may find applications in low-dimensional electronics.
authors.affiliation: Department of Information Science and Electronic Engineering, Zhejiang University, Hangzhou 310027, People's Republic of China.
authors.forename: Hongwei
authors.initials: H
authors.lastname: Guo
authors.forename: Yunlong
authors.initials: Y
authors.lastname: Liu
authors.forename: Yang
authors.initials: Y
authors.lastname: Xu
authors.forename: Nan
authors.initials: N
authors.lastname: Meng
authors.forename: Hongtao
authors.initials: H
authors.lastname: Wang
authors.forename: Tawfique
authors.initials: T
authors.lastname: Hasan
authors.forename: Xinran
authors.initials: X
authors.lastname: Wang
authors.forename: Jikui
authors.initials: J
authors.lastname: Luo
authors.forename: Bin
authors.initials: B
authors.lastname: Yu