中国有色金属学报(英文版)
Transactions of Nonferrous Metals Society of China
| Vol. 32 No. 2 February 2022 |
（1. Key Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province,Nanchang University, Nanchang 330031, China;
2. Physical Science and Technology College, Yichun University, Yichun 336000, China;
3. School of Materials Science and Engineering, Nanchang University, Nanchang 330031, China;
4. School of Materials Science and Engineering, Central South University, Changsha 410083, China）
Abstract:Graphene-reinforced Mg matrix composites suffer seriously from the weak Mg/graphene interfacial bonding. In this study, a first-principles study was performed to evaluate the feasibility of improving the Mg/graphene bonding using an in-situ formed intermediate MgO layer. The calculated interface adhesion strengths suggested a relative ordering (from high to low) of Mg(0001)/MgO(11-1) >MgO(11-1)/graphene >Mg(0001)/graphene. The enhanced Mg/MgO/graphene interface bonding can be attributed to the newly formed strong ionic and covalent interactions at the Mg/MgO and the MgO/graphene interfaces, respectively, which replace the otherwise very weak van der Waals bonding between Mg and graphene.
Key words: magnesium matrix composite; graphene; MgO; interface; first-principles
