On the wettability transparency of graphene-coated silicon surfaces

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 applica...

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Bibliographic Details
Published in:The Journal of chemical physics 2016-01, Vol.144 (1), p.014701-014701
Main Authors: Ramos-Alvarado, Bladimir, Kumar, Satish, Peterson, G P
Format: Article
Language:English
Subjects:
Aqueous environments
Coating
Computer simulation
Graphene
Interaction parameters
Molecular dynamics
Order parameters
Parameter identification
Physics
Potential energy
Silicon
Wettability
Wetting
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Summary: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4938499