Effects of boron-nitride substrates on Stone-Wales defect formation in graphene: An ab initio molecular dynamics study

Applied Physics Letters

Volumn 104, Issue 20, 2014, Pages

  Jin, K ^a   Xiao, H Y ^a   Zhang, Y ^a,b   Weber, W J ^a,b  

^a University of Tennessee   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECTS; GRAPHENE; IRRADIATION; MOLECULAR DYNAMICS; POINT DEFECTS; RECOVERY;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; BOND ROTATIONS; IRRADIATION RESISTANCE; LARGE DISPLACEMENTS; RECOVERY PROCESS; STONE-WALES DEFECTS; SUSPENDED GRAPHENE;

SUBSTRATES;

EID: 84901394956     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4879258     Document Type: Article

References (35)

1. C. R. Dean, A. F. Young, I. Meric, C. Lee, L. Wang, S. Sorgenfrei, K. Watanabe, T. Taniguchi, P. Kim, K. L. Shepard, and J. Hone, Nat. Nanotechnol. 5, 722 (2010). 10.1038/nnano.2010.172
2. R. Decker, Y. Wang, V. W. Brar, W. Regan, H. Z. Tsai, Q. Wu, W. Gannett, A. Zettl, and M. F. Crommie, Nano Lett. 11, 2291 (2011). 10.1021/nl2005115
3. J. Xue, J. Sanchez-Yamagishi, D. Bulmash, P. Jacquod, A. Deshpande, K. Watanabe, T. Taniguchi, P. Jarillo-Herrero, and B. J. LeRoy, Nature Mater. 10, 282 (2011). 10.1038/nmat2968
4. L. Liu, Y. P. Feng, and Z. X. Shen, Phys. Rev. B 68, 104102 (2003). 10.1103/PhysRevB.68.104102
5. T. P. Kaloni, Y. C. Cheng, and U. Schwingenschlögl, J. Mater. Chem. 22, 919 (2012). 10.1039/c1jm14895h
6. J. Kang, J. Bang, B. Ryu, and K. J. Chang, Phys. Rev. B 77, 115453 (2008). 10.1103/PhysRevB.77.115453
7. Q. Lu and B. Bhattacharya, Nanotechnology 16, 555 (2005). 10.1088/0957-4484/16/4/037
8. N. Chandra, S. Namilae, and C. Shet, Phys. Rev. B 69, 094101 (2004). 10.1103/PhysRevB.69.094101
9. A. Cortijo and M. Vozmediano, Nucl. Phys. B 763, 293 (2007). 10.1016/j.nuclphysb.2006.10.031
10. T. Li, X. Tang, Z. Liu, and P. Zhang, Physica E 43, 1597 (2011). 10.1016/j.physe.2011.05.001
11. A. J. Stone and D. J. Wales, Chem. Phys. Lett. 128, 501 (1986). 10.1016/0009-2614(86)80661-3
12. J. C. Meyer, C. Kisielowski, R. Erni, M. D. Rossell, M. F. Crommie, and A. Zettl, Nano Lett. 8, 3582 (2008). 10.1021/nl801386m
13. J. Ma, D. Alfè, A. Michaelides, and E. Wang, Phys. Rev. B 80, 033407 (2009). 10.1103/PhysRevB.80.033407
14. F. Banhart, J. Kotakoski, and A. V. Krasheninnikov, ACS Nano 5, 26 (2011). 10.1021/nn102598m
15. J. Kotakoski, A. Krasheninnikov, U. Kaiser, and J. Meyer, Phys. Rev. Lett. 106, 105505 (2011). 10.1103/PhysRevLett.106.105505
16. A. V. Krasheninnikov and F. Banhart, Nature Mater. 6, 723 (2007). 10.1038/nmat1996
17. D. Teweldebrhan and A. A. Balandin, Appl. Phys. Lett. 94, 013101 (2009). 10.1063/1.3062851
18. M. Lusk and L. Carr, Phys. Rev. Lett. 100, 175503 (2008). 10.1103/PhysRevLett.100.175503
19. A. Hashimoto, K. Suenaga, A. Gloter, K. Urita, and S. Iijima, Nature 430, 870 (2004). 10.1038/nature02817
20. O. V. Yazyev, I. Tavernelli, U. Rothlisberger, and L. Helm, Phys. Rev. B 75, 115418 (2007). 10.1103/PhysRevB.75.115418
21. J. Kotakoski, J. Meyer, S. Kurasch, D. Santos-Cottin, U. Kaiser, and A. Krasheninnikov, Phys. Rev. B 83, 245420 (2011). 10.1103/PhysRevB.83.245420
22. D. M. Ceperley, Phys. Rev. Lett. 45, 566 (1980). 10.1103/PhysRevLett.45. 566
23. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002) 10.1088/0953-8984/14/11/302.
24. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
25. G. Giovannetti, P. Khomyakov, G. Brocks, P. Kelly, and J. Brink, Phys. Rev. B 76, 073103 (2007). 10.1103/PhysRevB.76.073103
26. J. Sławińska, I. Zasada, and Z. Klusek, Phys. Rev. B 81, 155433 (2010). 10.1103/PhysRevB.81.155433
27. X. Zhong, Y. Yap, R. Pandey, and S. Karna, Phys. Rev. B 83, 193403 (2011). 10.1103/PhysRevB.83.193403
28. H. Xiao and D. Xie, Surf. Sci. 558, 15 (2004). 10.1016/j.susc.2004.04.014
29. T. P. Kaloni, M. U. Kahaly, Y. C. Cheng, and U. Schwingenschlögl, J. Mater. Chem. 22, 23340 (2012). 10.1039/c2jm35127g
30. S. Mathew, T. K. Chan, D. Zhan, K. Gopinadhan, A. R. Barman, M. B. H. Breese, S. Dhar, Z. X. Shen, T. Venkatesan, and J. T. L. Thong, Carbon 49, 1720 (2011). 10.1016/j.carbon.2010.12.057
31. S. Zhao, J. Xue, Y. Wang, and S. Yan, Nanotechnology 23, 285703 (2012). 10.1088/0957-4484/23/28/285703
32. Z. Wang, Y. G. Zhou, J. Bang, M. P. Prange, S. B. Zhang, and F. Gao, J. Phys. Chem. C 116, 16070 (2012). 10.1021/jp303905u
33. T. P. Kaloni, M. Tahir, and U. Schwingenschlögl, Sci. Rep. 3, 3192 (2013). 10.1038/srep03192
34. T. Kaloni, S. Gangopadhyay, N. Singh, B. Jones, and U. Schwingenschlögl, Phys. Rev. B 88, 235418 (2013). 10.1103/PhysRevB.88. 235418
35. J. Gao, J. Zhang, H. Liu, Q. Zhang, and J. Zhao, Nanoscale 5, 9785 (2013). 10.1039/c3nr02826g