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Electronic and magnetic properties of substituted BN sheets: A density functional theory study

Y. G. Zhou,ab   P. Yang,b   Z. G. Wang,a   X. T. Zu,*a   H. Y. Xiao,a   X. Sun,b   M. A. Khaleelb and   F. Gao*b  
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Corresponding authors
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, P.R. China
E-mail: xtzu@uestc.edu.cn
Pacific Northwest National Laboratory, MS K8-93, P.O. Box 999, Richland, USA
E-mail: fei.gao@pnl.gov
Phys. Chem. Chem. Phys., 2011,13, 7378-7383

DOI: 10.1039/C0CP02001J
Received 01 Oct 2010, Accepted 21 Feb 2011
First published online 21 Mar 2011
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