Work

Graphene Nucleation on Transition Metal Surface: Structure Transformation and Role of the Metal Step Edge

Year: 2011

Type: article

Abstract: The nucleation of graphene on a transition metal surface, either on a terrace or near a step edge, is systematically explored using density functional theory calculations and applying the two-dimensional (2D) crystal nucleation theory. Careful optimization of the supported carbon clusters, C(N) (with size N ranging from 1 to 24), on the Ni(111) surface indicates a ground state structure transformation from a one-dimensional C chain to a 2D sp(2) C network at N ≈ 10-12. Furthermore, the crucial parameters controlling graphene growth on the metal surface, nucleation barrier, nucleus size, and nucleation rate on a terrace or near a step edge are calculated. In agreement with numerous experimental observations, our analysis shows that graphene nucleation near a metal step edge is superior to that on a terrace. On the basis of our analysis, we propose the use of graphene seeds to synthesize high-quality graphene in large area.

Source: Journal of the American Chemical Society

DOI: 10.1021/ja110927p

Authors: Junfeng Gao, Joanne Yip, Jijun Zhao, Boris I. Yakobson, Feng Ding

Institutions: Hong Kong Polytechnic University, Dalian University of Technology, Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Rice University

Language: English

Topic: Graphene research and applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: Multidisciplinary University Research Initiative, Fundamental Research Funds for the Central Universities, Office of Naval Research

Award: G523587162