Structure, stability and defects of single layer hexagonal BN in comparison to graphene

Journal of Physics Condensed Matter

Volumn 25, Issue 4, 2013, Pages

  Slotman, G J ^a   Fasolino, A ^a  

^a RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

B ATOMS; BENDING CONSTANT; BENDING RIGIDITY; BOND-ORDER POTENTIAL; BROKEN BONDS; ENERGY DEFECTS; FORMATION ENERGIES; HEXAGONAL BORON NITRIDE (H-BN); INTER-ATOMIC DISTANCES; OUT-OF-PLANE DISPLACEMENT; SINGLE LAYER; STONE-WALES DEFECTS; THERMALLY STABLE;

BORON NITRIDE; GRAPHENE; MOLECULAR DYNAMICS; POINT DEFECTS;

DEFECTS;

BORON DERIVATIVE; BORON NITRIDE; GRAPHITE; NANOMATERIAL; NITROGEN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; CRYSTALLIZATION; MATERIALS TESTING; MOLECULAR DYNAMICS; PARTICLE SIZE; STATISTICAL MODEL; SURFACE PROPERTY; TEMPERATURE;

BORON COMPOUNDS; COMPUTER SIMULATION; CRYSTALLIZATION; GRAPHITE; MATERIALS TESTING; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR DYNAMICS SIMULATION; NANOSTRUCTURES; NITROGEN; PARTICLE SIZE; SOFTWARE; SURFACE PROPERTIES; TEMPERATURE;

MLCS; MLOWN;

EID: 84872073757     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/4/045009     Document Type: Article

References (38)

1. Britnell L et al 2012 Science 335 947-50
2. Golberg D, Bando Y, Huang Y, Terao T, Mitome M, Tang C and Zhi C 2010 ACS Nano 4 2979-93
3. Bresnehan M S, Hollander M J, Wetherington M, LaBella M, Trumbull K A, Cavalero R, Snyder D W and Robinson J A 2012 ACS Nano 6 5234-41
4. Dean C R et al 2010 Nature Nanotechnol. 5 722-6
5. Peter R, Bozanic A, Petravic M, Chen Y, Fan L J and Yang Y W 2009 J. Appl. Phys. 106 083523
6. Pavlychev A A, Franke R, Bender S and Hormes J 1998 J. Phys.: Condens. Matter 10 2181
7. Ma J, Alfè D, Michaelides A and Wang E 2009 Phys. Rev. B 80 033407
8. Chen W, Li Y, Yu G, Zhou Z and Chen Z 2009 J. Chem. Theory Comput. 5 3088-95
9. Wang V, Ma N, Mizuseki H and Kawazoe Y 2012 Solid State Commun. 152 816-20
10. Okada S 2009 Phys. Rev. B 80 161404
11. Sanyal B, Eriksson O, Jansson U and Grennberg H 2009 Phys. Rev. B 79 113409
12. Tersoff J 1988 Phys. Rev. Lett. 61 2879-82
13. Brenner D W, Shenderova O A, Harrison J A, Stuart S J, Ni B and Sinnott S B 2002 J. Phys.: Condens. Matter 14 783 (Pubitemid 34153770)
14. Stuart S J, Tutein A B and Harrison J A 2000 J. Chem. Phys. 112 6472
15. Los J H, Ghiringhelli L M, Meijer E J and Fasolino A 2005 Phys. Rev. B 72 214102 (Pubitemid 43029250)
16. Albe K, Möller W and Heinig K H 1997 Radiat. Eff. Defects Solids 141 85-97
17. Lehtinen O, Dumur E, Kotakoski J, Krasheninnikov A V, Nordlund K and Keinonen J 2011 Nucl. Instrum. Methods Phys. Res. B 269 1327-31
18. Plimpton S 1995 Fast parallel algorithms for short-range molecular dynamics J. Comput. Phys. 117 1-19
19. Paszkowicz W, Pelka J B, Knapp M, Szyszko T and Podsiadlo S 2002 Appl. Phys. A 75 431-5 (Pubitemid 34647260)
20. Berendsen H J C, Postma J P M, van Gunsteren W F, DiNola A and Haak J R 1984 J. Chem. Phys. 81 3684-90
21. Zakharchenko K V, Katsnelson M I and Fasolino A 2009 Phys. Rev. Lett. 102 046808
22. Pozzo M, Alfè D, Lacovig P, Hofmann P, Lizzit S and Baraldi A 2011 Phys. Rev. Lett. 106 135501
23. Mounet N and Marzari N 2005 Phys. Rev. B 71 205214 (Pubitemid 43285165)
24. Bao W, Miao F, Chen Z, Zhang H, Jang W, Dames C and Lau C N 2009 Nature Nanotechnol. 4 562-6
25. Nelson D, Piran T and Weinberg S (ed) 2004 Statistical Mechanics of Membranes and Surfaces (Singapore: World Scientific)
26. Katsnelson M I 2012 Graphene: Carbon in Two Dimensions (Cambridge: Cambridge University Press)
27. Fasolino A, Los J H and Katsnelson M I 2007 Nature Mater. 6 858-61 (Pubitemid 350050580)
28. Zakharchenko K V, Los J H, Katsnelson M I and Fasolino A 2010 Phys. Rev. B 81 235439
29. Katsnelson M I and Fasolino A 2012 Acc. Chem. Res. at press
30. Nelson D R and Peliti L 1987 J. Phys. 48 1085-92
31. Los J H, Katsnelson M I, Yazyev O V, Zakharchenko K V and Fasolino A 2009 Phys. Rev. B 80 121405
32. Tersoff J and Ruoff R S 1994 Phys. Rev. Lett. 73 676-9
33. Stone A J and Wales D J 1986 Chem. Phys. Lett. 128 501-3
34. Carlsson J M and Scheffler M 2006 Phys. Rev. Lett. 96 46806 (Pubitemid 43270936)
35. Jin C, Lin F, Suenaga K and Iijima S 2009 Phys. Rev. Lett. 102 195505
36. Carlsson J M, Ghiringhelli L M and Fasolino A 2011 Phys. Rev. B 84 165423
37. Qian G X, Martin R M and Chadi D J 1988 Phys. Rev. B 38 7649
38. Tersoff J 1989 Phys. Rev. B 39 5566