当前位置: X-MOL 学术Mol. Simulat. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Wetting of single crystalline and amorphous silicon surfaces: effective range of intermolecular forces for wetting
Molecular Simulation ( IF 1.9 ) Pub Date : 2019-11-25 , DOI: 10.1080/08927022.2019.1690145
H. Gokberk Ozcelik 1 , A. Cihan Ozdemir 1 , Bohung Kim 2 , Murat Barisik 1
Affiliation  

ABSTRACT Wetting at nanoscale is a property of a three-dimensional region with a finite length into the solid domain from the surface. Understanding the extent of the solid region effective on wetting is important for recent coating applications as well as for both crystalline and amorphous solids of different atomic ordering. For such a case, we studied the wetting behaviour of silicon surfaces at various crystalline and amorphous states. Molecular distributions of amorphous systems were varied by changing the amorphisation conditions of silicon. Semi-cylindrical water droplets were formed on the surfaces to be large enough to remain independent of line tension and Tolman length effects. Contact angles showed up to 38% variation by the change in the atomic orientation of silicon. Instead of a homogeneous solid density definition, we calculated different solid densities for a given surface measured inside different extents from the interface. We correlated the observed wetting variation with each of these different solid densities to determine which extent governs the wetting variation. We observed that the variation of solid density measured inside a 0.13 nm extent from the surface reflected the variation of wetting angle better for both single crystalline and amorphous silicon surfaces.

中文翻译:

单晶和非晶硅表面的润湿:润湿的有效分子间力范围

摘要 纳米尺度润湿是从表面进入固体域有限长度的三维区域的一种特性。了解对润湿有效的固体区域的范围对于最近的涂层应用以及不同原子顺序的结晶和非晶固体都很重要。对于这种情况,我们研究了硅表面在各种晶态和非晶态下的润湿行为。通过改变硅的非晶化条件来改变非晶体系的分子分布。在表面上形成的半圆柱形水滴足够大以保持独立于线张力和托尔曼长度效应。由于硅原子取向的变化,接触角显示出高达 38% 的变化。而不是均匀的固体密度定义,我们计算了在界面不同范围内测量的给定表面的不同固体密度。我们将观察到的润湿变化与这些不同的固体密度中的每一个相关联,以确定控制润湿变化的程度。我们观察到,在距离表面 0.13 nm 范围内测量的固体密度变化更好地反映了单晶和非晶硅表面的润湿角变化。
更新日期:2019-11-25
down
wechat
bug