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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.

Paper

Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory

Wei Hu,*a   Lin Lin*ab and   Chao Yang*a  
*
Corresponding authors
a
Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, USA
E-mail: whu@lbl.gov, linlin@math.berkeley.edu, cyang@lbl.gov
b
Department of Mathematics, University of California, Berkeley, USA
Phys. Chem. Chem. Phys., 2015,17, 31397-31404

DOI: 10.1039/C5CP00333D
Received 19 Jan 2015, Accepted 10 Feb 2015
First published online 11 Feb 2015

This article is part of themed collection: Real-space numerical grid methods in quantum chemistry
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