Formation of Carbon Clusters in the Initial Stage of Chemical Vapor Deposition Graphene Growth on Ni(111) Surface

Abstract

b S Supporting Information N owadays, graphene is a superstar material in many fields including material science, physics, chemistry, electronics, and biology. 1À3 In addition to the high Young's modulus, strength and thermal conductivity that are comparable to those of carbon nanotubes (CNTs), 4À6 it possess a largely extended two-dimensional (2D) area and distinctive electronic properties. 7,8 Its superior mechanical, thermal, electronic, optical, and chemical properties ensure numerous applications in composites, renewable energy generation and storage, chemical sensors, catalysts, etc. In particular, graphene is believed to be the most promising candidate for replacing silicon in future electronic applications. 9À11

The Critical Role of Substrate in Stabilizing Phosphorene Nanoflake: A Theoretical Exploration

“…Such scenario is similar to silicene on Ag(111) surface 6 , but very different from graphene on metal surfaces 32,41,65 . When we consider the whole P 27 nanoflake, the calculated binding energy is about 0.754 eV/P atom ( Table 1).…”

An important atomic process in the CVD growth of graphene: Sinking and up-floating of carbon atom on copper surface

“…With the aid of first principle calculations, many studies focusing on the configurations, energies [15][16][17][18][19][20] and nucleation kinetics [21][22][23] of small carbon clusters on copper surface have been reported. While, most of these studies concentrated on the properties of carbon atoms above the top layer of copper surface, probably due to the low carbon solubility in copper; only a few of them [21,23] have involved the properties of the subsurface carbon atoms, which may also play a great role at the early stages of graphene growth since they are recently reported [21] to be more stable than that on the top of copper surface.…”

Formation of carbyne and graphyne on transition metal surfaces

“…[16][17][18][19][20][21] These theoretical results indicate a Fig. 1 The polyynic carbyne formation with alternative single and triple bonds (-CuC-) n (a) and the polycumulenic carbyne with double bonding (vCvCv) n (b); the electron densities of polyynic carbyne (c) and polycumulenic carbyne (d); the formation of a carbon chain with 8 carbon atoms on the Cu (111) possibility of observing and measuring carbyne on the metal surface directly.…”