Tuesday, August 12, 2014

Fluorinated graphene and hexagonal boron nitride as ALD seed layers for graphene-based van der Waals heterostructures

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 H 2 O-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 vd...

Hongwei Guo, Yunlong Liu, Yang Xu, Nan Meng, Hongtao Wang, Tawfique Hasan, Xinran Wang, Jikui Luo and Bin Yu

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