Edge Structural Stability and Kinetics of Graphene Chemical Vapor Deposition Growth

• Published in: ACS nano Vol. 6; no. 4; pp. 3243 - 3250
• Main Authors: Shu, Haibo, Chen, Xiaoshuang, Tao, Xiaoming, Ding, Feng
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 24.04.2012
• Subjects: Carbon; Catalysis; Catalysts; Chemical vapor deposition; Copper; Density functional theory; Graphene; Passivation; Reaction kinetics; edge reconstruction; chemical vapor deposition; graphene; density functional theory

The energetics and growth kinetics of graphene edges during CVD growth on Cu(111) and other catalyst surfaces are explored by density functional theory (DFT) calculations. Different from graphene edges in vacuum, the reconstructions of both armchair (AC) and zigzag (ZZ) edges are energetically less...