Title

H2 dissociative adsorption at the armchair edges of graphite

College

College of Science

Department/Unit

Physics

Document Type

Article

Source Title

Solid State Communications

Volume

132

Issue

10

First Page

713

Last Page

718

Publication Date

12-1-2004

Abstract

We investigate and discuss how hydrogen behaves at the edges of a graphite sheet, in particular the armchair edge. Our density functional theory-based calculations results show that, in contrast to the zigzag edge [W.A. Diño, H. Nakanishi, H. Kasai, T. Sugimoto, T. Kondoe, e-J. Surf. Sci. Nanotech. 2 (2004) 77. [25]], regardless of orientation, there is an activation barrier hindering H2 dissociation at the armchair edges. And once they do get dissociatively adsorbed at the armchair edges, we find that it would be extremely hard to desorb the H from their adsorption sites at the armchair edges. Furthermore, we also found that, consistent with our earlier conclusions [W.A. Diño, Y. Miura, H. Nakanishi, H. Kasai, T. Sugimoto, J. Phys. Soc. Jpn. 72 (2003) 1867. [24]], it is unlikely that we would find a whole H 2 in between plain graphite sheets. © 2004 Elsevier Ltd. All rights reserved.

html

Digitial Object Identifier (DOI)

10.1016/j.ssc.2004.08.043

Disciplines

Physics

Keywords

Graphite; Hydrogen

Upload File

wf_yes

This document is currently not available here.

Share

COinS