Structure and dynamics of ethanol adsorbed on a mica surface Article

cited authors

  • Zhou, B; Wang, CL; Xiu, P; Fang, HP

fiu authors

abstract

  • The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations. We observe a dense, almost flat ethanol bilayer formed in the vicinity of the mica surface, with the hydrophobic alkyl groups pointing outward from the surface. Remarkably, such ethanol bilayer is laterally well-ordered with patterned adsorption sites. Each ethanol molecule in the first layer donates one hydrogen bond to the surface basal oxygen atoms and accepts one hydrogen bond from that in the second layer. The ethanol molecules within the bilayer exhibit constrained lateral mobility and delayed dynamics as compared with bulk ethanol, whereas those on top of the bilayer have bulk-like characteristics. © 2012 Chinese Physical Society and IOP Publishing Ltd.

publication date

  • February 1, 2012

Digital Object Identifier (DOI)

start page

  • 308

end page

  • 314

volume

  • 57

issue

  • 2