Back to Search
Start Over
Formation of graphene on BN substrate by vapor deposition method and size effects on its structure
- Source :
- Physica B: Condensed Matter. 534:26-33
- Publication Year :
- 2018
- Publisher :
- Elsevier BV, 2018.
-
Abstract
- We report MD simulation of the growth of graphene by the vapor deposition on a two-dimensional hBN substrate. The systems (containing carbon vapor and hBN substrate) are relaxed at high temperature (1500 K), and then it is cooled down to room one (300 K). Carbon atoms interact with the substrate via the Lennard-Jones potential while the interaction between carbon atoms is computed via the Tersoff potential. Depending on the size of the model, different crystalline honeycomb structures have been found. Structural properties of the graphene obtained at 300 K are studied by analyzing radial distribution functions (RDFs), coordination numbers, ring statistics, interatomic distances, bond-angle distributions and 2D visualization of atomic configurations. We find that the models containing various numbers of atoms have a honeycomb structure. Besides, differences in structural properties of graphene formed by the vapor deposition on the substrate and free standing one are found. Moreover, the size effect on the structure is significant.
- Subjects :
- Materials science
Graphene
Coordination number
chemistry.chemical_element
02 engineering and technology
Chemical vapor deposition
Substrate (electronics)
Radial distribution
021001 nanoscience & nanotechnology
Condensed Matter Physics
Ring (chemistry)
01 natural sciences
Electronic, Optical and Magnetic Materials
law.invention
Honeycomb structure
chemistry
Chemical physics
law
0103 physical sciences
Electrical and Electronic Engineering
010306 general physics
0210 nano-technology
Carbon
Subjects
Details
- ISSN :
- 09214526
- Volume :
- 534
- Database :
- OpenAIRE
- Journal :
- Physica B: Condensed Matter
- Accession number :
- edsair.doi...........a35eb313e2e301d3c01541813c49292a