Structure of water adsorbed on a single graphene sheet | Zendy

M. C. Gordillo | Zendy; Jordi Martı́ | Zendy

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Structure of water adsorbed on a single graphene sheet

Author(s) -

M. C. Gordillo,

Jordi Martı́

Publication year - 2008

Publication title -

physical review b

Language(s) - English

Resource type - Journals

eISSN - 1538-4489

pISSN - 1098-0121

DOI - 10.1103/physrevb.78.075432

Subject(s) - graphene , materials science , molecular dynamics , adsorption , graphite , chemical physics , hydrogen bond , molecular physics , molecule , nanotechnology , physics , computational chemistry , chemistry , quantum mechanics , composite material

We present the result of molecular-dynamics simulations of water adsorbed on top of a single graphene layer at temperatures between 25 and 50 °C. The analysis of the energy per particle and the density profiles indicate that the behavior of the adsorbed liquid is similar to the case of multiple graphene layers graphite with the only difference being the values of configurational energy. Other structural properties, such as stability ranges, hydrogen bond distributions, and molecular orientations are also presented.

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