Previous work by our team has shown that not only can oxalic acid added to a reactive methanol polishing solution significantly further improve SiC polishing removal rate but also surface quality. However, due to the lack of fundamental information on the nature of the interfacial reaction, the reaction mechanism involved in continuously improving SiC polishing performance remains unresolved. This study explores the chemical interactions of pristine and nano-scratched surfaces with the reaction medium using a molecular dynamics (MD) model combined with the ReaxFF reaction force field. The results show that –OH and –CHn, methanol can effectively break the Si-C bond on the surface of silicon carbide and the high amount of OH and C=O in oxalic acid favors the formation of surface silicon oxides and the softening of the silicon carbide surface. The synergistic effect of oxalic acid and methanol in the pre-scratch system indirectly supports the notion that nanoabrasion caused by nano-abrasives enhances the chemical reactivity of polishing fluid components. In conjunction with the experimental data, a proposed reaction mechanism for organic acid-containing alcohol fluids with SiC based on non-aqueous solvent systems is presented. This may stimulate ideas for better developing and applying novel non-aqueous-based polishing fluids.

中文翻译：

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纳米研磨前后甲醇和草酸在 4H-SiC 表面化学反应的模拟


我们团队之前的工作表明，在反应性甲醇抛光液中添加草酸不仅可以显着进一步提高SiC抛光去除率，而且可以显着提高表面质量。然而，由于缺乏界面反应本质的基本信息，持续提高SiC抛光性能的反应机制仍未得到解决。本研究利用分子动力学 (MD) 模型与 ReaxFF 反应力场相结合，探讨了原始和纳米划痕表面与反应介质的化学相互作用。结果表明，-OH和-CHn、甲醇能有效破坏碳化硅表面的Si-C键，草酸中大量的OH和C=O有利于表面硅氧化物的形成和碳化硅的软化。碳化硅表面。预划痕系统中草酸和甲醇的协同作用间接支持了纳米磨料引起的纳米磨蚀增强了抛光液成分的化学反应性的观点。结合实验数据，提出了基于非水溶剂体系的含有机酸醇流体与 SiC 的反应机理。这可能会激发更好地开发和应用新型非水基抛光液的想法。