| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5355800 | Applied Surface Science | 2016 | 5 Pages |
Abstract
- We study Mn adsorption on Al-terminated and C-terminated Al4C3(0Â 0Â 0Â 1) with a DFT-PBE.
- The structure of Mn adsorption on C-terminated Al4C3(0Â 0Â 0Â 1) surface is more stable than that on Al-terminated surface.
- Al4C3(0Â 0Â 0Â 1) surfaces have seriously been reconstructed after Mn adsorption.
- High Mn content has negative influence on the heterogeneous nucleation of Al4C3 particles for α-Mg grains.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
L.F. Yao, K. Li, N.G. Zhou,