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Paper

Improved binding and stability in Si/CNT hybrid nanostructures via interfacial functionalization: a first-principles study

Vadym V. Kulish,a   Man-Fai Ng,*b   Oleksandr I. Malyi,a   Ping Wuc and   Zhong Chen*a  
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a
School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore, 639798, Singapore
E-mail: ASZChen@ntu.edu.sg
b
Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore, 138632, Singapore
E-mail: ngmf@ihpc.a-star.edu.sg
c
Singapore University of Technology and Design, 20 Dover Drive, Singapore, 138682, Singapore
RSC Adv., 2013,3, 8446-8453

DOI: 10.1039/C3RA40340H
Received 22 Jan 2013, Accepted 22 Mar 2013
First published online 25 Mar 2013
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