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 bon...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.展开更多
基金the financial supports from the National Natural Science Foundation of China(Nos.52061028,52061039,51971249,51761037)the Natural Science Foundation of Jiangxi Province,China(No.2020BABL204002)+1 种基金the Interdisciplinary Innovation Fund of Nanchang University(IIFNCU),China(No.9166-27060003-ZD05)the Innovative Funding for Graduate Students in Nanchang University,China(No.CX2019068).
文摘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.
