• 文献标题:   Interfacial bonding of plating Al on graphene surface through organic aluminum reduction
  • 文献类型:   Article
  • 作  者:   BAI PK, ZHAO Y, ZHAO ZY, ZHANG LZ, ZHAO RX, DU WB, ZHAO WJ, HAN B
  • 作者关键词:   aluminum, atomistic simulation, atomic structure, graphene, interfacial bonding, dynamic simulation
  • 出版物名称:   MATERIALS EXPRESS
  • ISSN:   2158-5849 EI 2158-5857
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1166/mex.2021.1899
  • 出版年:   2021

▎ 摘  要

Graphene (Gr) was plated with an Al layer by using an organic aluminum reduction method, and the total adsorption energy and the optimum adsorption location of Al atom on the Gr surface were studied. The interface of the Al/Gr/Al double-interface model was tightly bonded with the Gr layer, and the interface structure was stable. The total adsorption energy of the Al atoms at the central H point of Gr hexagonal lattice was the highest. The Al atoms at C-C bond bridge midpoint B and above C atom T point tended to shift toward the H point, and thus, the H point was the best adsorption site for the Al atoms on the Gr surface.