Wettability of water droplet on misoriented graphene bilayer sructure: A molecular dynamics study
QC Liu and BX Xu, AIP ADVANCES, 5, 067150 (2015).
Graphene continues to attract growing attention with its exceptional physical and mechanical properties, and more than one layer graphene structure with an orientation mismatch is often involved in practice. Using molecular dynamics (MD) simulations, we report the wettability of water droplet on a misoriented graphene bilayer structure. The contact angle of water droplet will change with the interlayer orientation of bilayer graphene structure, and reaches a maximum of 97.97 +/- 1.15 degrees at orientation mismatch of 40 degrees. Comprehensive understanding on density profile and hydrogen bonding of water molecules and water-carbon interactive energy is explored to reveal the molecular mechanism. (C) 2015 Author(s).
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