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Adsorption of Ag on M-doped graphene: First principle calculations by Min Hu; Zhou Fan; Jian-yi Liu; Kun Zhang; Yang Wang; Chun-feng Yang is a Engineering article available to read on EtoBox.

What is Adsorption of Ag on M-doped graphene: First principle calculations about?

Graphene is an ideal reinforcing phase for a high-performance composite filler, which is of great theoretical and practical significance for improving the wettability and reliability of the filler. However, the poor adsorption characteristics between graphene and the silver base filler significantly affect the application of graphene filler in the brazing field. It is a great challenge to improve the adsorption characteristics between a graphene and silver base filler. To solve this issue, the adsorption characteristic between graphene and silver was studied with first principle calculation. The effects of Ga, Mo, and W on the adsorption properties of graphene were explored. There are three possible adsorbed sites, the hollow site (H), the bridge site (B), and the top site (T). Based on this research, the top site is the most preferentially adsorbed site for Ag atoms, and there is a strong interaction between graphene and Ag atoms. Metal element doping enhances local hybridization between C or metal atoms and Ag. Furthermore, compared with other doped structures (Ga and Mo), W atom doping is the most stable adsorption structure and can also improve effective adsorption characterist

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Author

Min Hu; Zhou Fan; Jian-yi Liu; Kun Zhang; Yang Wang; Chun-feng Yang

Publisher

Springer Science and Business Media LLC

Published

2021

Language

EN

Field

Engineering (Physical Sciences)