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Chemically modified ribbon edge stimulated H2 dissociation: a first-principles computational study

Ting Liao,*a   Chenghua Sun,ab   Ziqi Sun,c   Aijun Dua and   Sean Smith*d  
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Corresponding authors
a
Computational Bio & Nanotechnology Group, Australian Institute for Bioengineering and Nanotechnology, University of Queensland, Brisbane, Australia
E-mail: t.liao1@uq.edu.au
b
ARC Centre of Excellence for Functional Nanomaterials, Australian Institute for Bioengineering and Nanotechnology, University of Queensland, Brisbane, Australia
c
Institute for Superconducting & Electronic Materials, University of Wollongong, Australia
d
Centre for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, USA
E-mail: smithsc@ornl.gov
Phys. Chem. Chem. Phys., 2013,15, 8054-8057

DOI: 10.1039/C3CP50654A
Received 13 Feb 2013, Accepted 12 Apr 2013
First published online 12 Apr 2013
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