Issue 34, 2008
From the journal:

Physical Chemistry Chemical Physics

Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface

Philippe F. Weck,*a   Eunja Kim,b   Stephen H. Lepp,b   Naduvalath Balakrishnana  and  H. R. Sadeghpourc  

* Corresponding authors

a Department of Chemistry, University of Nevada Las Vegas, 4505 Maryland Parkway, Las Vegas, USA
E-mail: weckp@unlv.nevada.edu

b Department of Physics and Astronomy, University of Nevada Las Vegas, 4505 Maryland Parkway, Las Vegas, USA

c ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, USA

Abstract

Using first-principles calculations, we have studied successive adsorption of hydrogen atoms on a sp2-bonded boron nitride graphitic sheet. Our calculations show that clustering proceeds through the creation of contiguous H–H orthodimer structures stabilizing the H adsorbate cluster on the BN(0001) surface, leading eventually to the formation of hydrogen-contiguous boat-shaped quartets.

Graphical abstract: Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface

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Article information

DOI
https://doi.org/10.1039/B809081P
Article type
Communication
Submitted
28 May 2008
Accepted
02 Jul 2008
First published
18 Jul 2008

Phys. Chem. Chem. Phys., 2008,10, 5184-5187

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Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface

P. F. Weck, E. Kim, S. H. Lepp, N. Balakrishnan and H. R. Sadeghpour, Phys. Chem. Chem. Phys., 2008, 10, 5184 DOI: 10.1039/B809081P

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