The effect of vanadium-carbon monolayer on the adsorption of tungsten and carbon atoms on tungsten-carbide (0001) surface
SCIE
SCOPUS
- Title
- The effect of vanadium-carbon monolayer on the adsorption of tungsten and carbon atoms on tungsten-carbide (0001) surface
- Authors
- Moitra, A; Kim, S; Park, SJ; Kim, SG; Horstemeyer, MF
- Date Issued
- 2011-05
- Publisher
- International Institute for the Science of Sintering
- Abstract
- We report a first-principles calculations to study the effect of a vanadium-carbon (VC) monolayer on the adsorption process of tungsten (W) and carbon (C) atoms onto tungsten-carbide (WC) (0001) suface. The essential configuration for the study is a supercell of hexagonal WC with a (0001) surface. When adding the VC monolayer, we employed the lowest energy configuration by examining various configurations. The total energy of the system is computed as a function of the W or C adatoms' height from the surface. The adsorption of a Wand C adatom on a clean WC (0001) surface is compared with that of a W and C adatom on a WC (0001) surface with VC monolayer. The calculations show that the adsorption energy increased for both Wand C adatoms in presence of the VC monolayer. Our results provide a fundamental understanding that can explain the experimentally observed phenomena of inhibited grain growth during sintering of WC or WC-Co powders in presence of VC.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/12875
- DOI
- 10.2298/SOS1102153M
- ISSN
- 0350-820X
- Article Type
- Article
- Citation
- SCIENCE OF SINTERING, vol. 43, no. 2, page. 153 - 159, 2011-05
- Files in This Item:
-
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.