Loading...
Loading...

Go to the content (press return)

Structure of water adsorbed on a single graphene sheet

Author
Gordillo, M. C.; Marti, J.
Type of activity
Journal article
Journal
Physical review B: condensed matter and materials physics
Date of publication
2008-08
Volume
78
First page
075432-1
Last page
075432-5
DOI
https://doi.org/10.1103/PhysRevB.78.075432 Open in new window
URL
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.78.075432 Open in new window
Abstract
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 orientatio...
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants