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硅表面的水接触角值是多少？

What Is the Value of Water Contact Angle on Silicon?

作者信息

Bryk Paweł, Korczeniewski Emil, Szymański Grzegorz S, Kowalczyk Piotr, Terpiłowski Konrad, Terzyk Artur P

机构信息

Department of Chemistry, Chair of Theoretical Chemistry, Maria Curie-Skłodowska University, 20-031 Lublin, Poland.

Faculty of Chemistry, Physicochemistry of Carbon Materials Research Group, Nicolaus Copernicus University in Toruń, Gagarin Street 7, 87-100 Toruń, Poland.

出版信息

Materials (Basel). 2020 Mar 27;13(7):1554. doi: 10.3390/ma13071554.

DOI:10.3390/ma13071554
PMID:32230922
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7177545/
Abstract

Silicon is a widely applied material and the wetting of silicon surface is an important phenomenon. However, contradictions in the literature appear considering the value of the water contact angle (WCA). The purpose of this study is to present a holistic experimental and theoretical approach to the WCA determination. To do this, we checked the chemical composition of the silicon (1,0,0) surface by using the X-ray photoelectron spectroscopy (XPS) method, and next this surface was purified using different cleaning methods. As it was proved that airborne hydrocarbons change a solid wetting properties the WCA values were measured in hydrocarbons atmosphere. Next, molecular dynamics (MD) simulations were performed to determine the mechanism of wetting in this atmosphere and to propose the force field parameters for silica wetting simulation. It is concluded that the best method of surface cleaning is the solvent-reinforced de Gennes method, and the WCA value of silicon covered by SiO layer is equal to 20.7° (at room temperature). MD simulation results show that the mechanism of pure silicon wetting is similar to that reported for graphene, and the mechanism of silicon covered by SiO layer wetting is similar to this observed recently for a MOF.

摘要

硅是一种广泛应用的材料，硅表面的润湿性是一个重要现象。然而，考虑到水接触角（WCA）的值，文献中出现了矛盾之处。本研究的目的是提出一种全面的实验和理论方法来测定WCA。为此，我们使用X射线光电子能谱（XPS）方法检查了硅（1,0,0）表面的化学成分，然后使用不同的清洗方法对该表面进行了纯化。由于已证明空气中的碳氢化合物会改变固体的润湿性，因此在碳氢化合物气氛中测量了WCA值。接下来，进行了分子动力学（MD）模拟，以确定该气氛中的润湿机制，并提出用于二氧化硅润湿模拟的力场参数。得出的结论是，最佳的表面清洗方法是溶剂增强的德热纳方法，被SiO层覆盖的硅的WCA值等于20.7°（在室温下）。MD模拟结果表明，纯硅的润湿机制与报道的石墨烯的润湿机制相似，被SiO层覆盖的硅的润湿机制与最近观察到的金属有机框架（MOF）的润湿机制相似。

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