联苯
腐蚀
材料科学
石墨烯
涂层
冶金
防腐
纳米技术
复合材料
亚苯基
聚合物
作者
Ke Ke,Kun Meng,Ju Rong,Xiaohua Yu
出处
期刊:Materials
[MDPI AG]
日期:2022-08-18
卷期号:15 (16): 5675-5675
被引量:4
摘要
Metal corrosion can potentially cause catastrophic engineering accidents threatening personal safety; thus, coating protection is a tremendously valuable anti-corrosion initiative. Recently, biphenylene, a novel two-dimensional (2D) graphene-based material, has achieved a remarkable synthetic breakthrough; the anti-corrosion properties of biphenylene, with its specific pore structure, are predicted to be beneficial in applications of metal corrosion resistance. In this study, the anti-corrosion mechanism of biphenylene is deciphered utilizing first principles and molecular dynamics. The results suggest that biphenylene with tetragonal, hexagonal, and octagonal carbon rings supplies adequate sites for stable O atom adsorption. The charge transfer amounts of +0.477 and +0.420 e facilitate the formation of a compact oxygen-rich layer on the material surface to acquire outstanding anti-corrosion properties. The moderate wettability of biphenylene prevents the water-based solution from encroaching on the biphenylene coating and substrate. In addition, the intensive binding between biphenylene and the aluminum substrate strengthens the integration of the two heterogeneous structures with -413.7 and 415.5 eV, which guarantees the durable application of biphenylene coating.
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