| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5360470 | Applied Surface Science | 2013 | 6 Pages |
Abstract
⺠We study Al4C3 slabs and Mg(0 0 0 2)/Al4C3(0 0 0 1) interfaces with a DFT-GGA method. ⺠C-terminated Al4C3(0 0 0 1) slabs is more active than that of Al-terminated slabs. ⺠C-terminated “OT” structure is the most stable Mg(0 0 0 2)/Al4C3(0 0 0 1) interface. ⺠Interfacial energy of Mg/Al4C3 interfaces do not depend on Al chemical potential. ⺠Al4C3 particle is effective heterogeneous nucleation substrate for α-Mg.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
K. Li, Z.G. Sun, F. Wang, N.G. Zhou, X.W. Hu,