Reversible transition of graphene from hydrophobic to hydrophilic in the presence of an electric field
- Publication Type:
- Journal Article
- Journal of Physical Chemistry C, 2012, 116 (36), pp. 19321 - 19326
- Issue Date:
The catalytic effect of a perpendicular electric field on the reversible transition of graphene with water from hydrophobic to hydrophilic has been investigated by using first principles calculations. It is found that a negative electric field F can reduce the energy barrier for H2O dissociative adsorption on graphene, while a positive electric field has an opposite effect. Under F = -0.39 V/Å, the energy barrier becomes negative and the dissociative adsorption occurs smoothly without any potential barrier, which results in hydrophilic graphene. For the desorption of H and OH from graphene after the dissociative adsorption of the H2O molecule, the positive electric field of F = 0.36 V/Å leads to a negative desorption energy barrier and the desorption progress is present automatically, making the graphene hydrophobic again. Therefore, the electric field can act as a switch to reversibly change the graphene from hydrophobic to hydrophilic in the presence of water vapor. © 2012 American Chemical Society.
Please use this identifier to cite or link to this item: