Paper Title:
Ab Initio Study of Water Clusters Adsorption on Graphite Surface
  Abstract

Using the density functional theory method, we have characterized the geometrical structures and adsorption energy of water clusters adsorption on graphite surface. When one water molecule inter- acts with graphite surface, one of the H-O bonds formed hydrogen-bond with carbon atom in graphite sheet; in the two water molecules structure, the linear dimmer nearly parallel to the graphite surface, and also formed the hydrogen-bond; when the number of water molecules increased to six, all the H-O bond that point to the graphite surface has formed Hydrogen-bond with it. The binding energy of the water clusters with a graphite surface depends only on the number of water molecules that form hydrogen bond.

  Info
Periodical
Advanced Materials Research (Volumes 105-106)
Edited by
Wei Pan and Jianghong Gong
Pages
499-501
DOI
10.4028/www.scientific.net/AMR.105-106.499
Citation
B. B. Fan, H. L. Wang, L. Guan, D. L. Chen, R. Zhang, "Ab Initio Study of Water Clusters Adsorption on Graphite Surface ", Advanced Materials Research, Vols. 105-106, pp. 499-501, 2010
Online since
April 2010
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Price
$32.00
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