Ramos-Alvarado Bladimir, Kumar Satish, Peterson G P
The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
J Chem Phys. 2016 Jan 7;144(1):014701. doi: 10.1063/1.4938499.
In order to better understand the behavior and governing characteristics of the wetting transparency phenomenon observed in graphene-coated surfaces, molecular dynamics simulations were coupled with a theoretical model. Graphene-coated silicon was selected for this analysis, due to potential applications of hybrid silicon-graphene materials as detectors in aqueous environments. The results indicate good agreement between the theory and simulations at the macroscopic conditions required to observe wetting transparency. A microscopic analysis was also conducted in order to identify the parameters, such as the interaction potential energy landscape and the interfacial liquid structure that govern the wetting behavior of graphene-coated surfaces. The interfacial liquid structure was found to be different between uncoated Si(100) and the graphene-coated version and very similar between uncoated Si(111) and the graphene-coated version. However, the concentration of liquid particles for both silicon surfaces was found to be very similar under transparent wetting conditions.
为了更好地理解在石墨烯涂层表面观察到的润湿透明现象的行为和控制特性,将分子动力学模拟与理论模型相结合。由于硅 - 石墨烯混合材料在水性环境中作为探测器的潜在应用,选择了石墨烯涂层硅进行此分析。结果表明,在观察润湿透明所需的宏观条件下,理论与模拟结果吻合良好。还进行了微观分析,以确定诸如相互作用势能分布和控制石墨烯涂层表面润湿行为的界面液体结构等参数。发现未涂层的Si(100)与石墨烯涂层版本之间的界面液体结构不同,而未涂层的Si(111)与石墨烯涂层版本之间非常相似。然而,发现在透明润湿条件下,两种硅表面的液体颗粒浓度非常相似。