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.
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Digitial Object Identifier (DOI)
10.1016/j.ssc.2004.08.043
Recommended Citation
Diño, W., Miura, Y., Nakanishi, H., Kasai, H., Sugimoto, T., & Kondo, T. (2004). H2 dissociative adsorption at the armchair edges of graphite. Solid State Communications, 132 (10), 713-718. https://doi.org/10.1016/j.ssc.2004.08.043
Disciplines
Physics
Keywords
Graphite; Hydrogen
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