Size dependence in the stabilities and electronic properties of α-graphyne and its boron nitride analogue

Journal of Physical Chemistry C

Volumn 117, Issue 5, 2013, Pages 2175-2182

  Özçelik, V Ongun ^a   Ciraci, S ^a  

^a BILKENT UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BI-LAYER; BOHR MAGNETONS; COHESIVE ENERGIES; DIFFERENT SIZES; ELECTRONIC AND MAGNETIC PROPERTIES; ELECTRONIC APPLICATION; FERMI VELOCITIES; FINITE TEMPERATURES; HYDROGEN VACANCIES; LAYERED MATERIAL; MOLECULAR DYNAMICS SIMULATIONS; PHONON DISPERSIONS; PLANE WAVE METHODS; SIZE DEPENDENCE; STABLE STRUCTURES; STRUCTURAL TRANSFORMATION;

DISPERSIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GRAPHENE; HYDROGEN; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS;

CALCULATIONS;

EID: 84873457160     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3111869     Document Type: Article

References (50)

1. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Science 2004, 306, 666-669
2. Geim, A. K.; Novoselov, K. S. Nat. Mater. 2007, 6, 183-191
3. Zhang, Y.; Tan, Y. W.; Stormer, H. L.; Kim, P. Nature (London) 2005, 438, 201-204
4. Baughman, R. H.; Eckhardt, H.; Kertesz, M. J. J. Chem. Phys. 1987, 87, 6687-6698
5. Tongay, S.; Dag, S.; Durgun, E.; Senger, R. T.; Ciraci, S. J. Phys.: Condens. Matter 2005, 17, 3823-3836
6. Malko, D.; Neiss, C.; Vines, F.; Gorling, A. Phys. Rev. Lett. 2012, 108, 086804
7. Hirsch, A. Nat. Mater. 2010, 9, 868-871
8. Diederich, F. Nature (London) 1994, 369, 199-207
9. Diederich, F.; Kivala, M. Adv. Mater. 2010, 22, 803-812
10. Haley, M. M. Pure Appl. Chem. 2008, 80, 519-532
11. Kehoe, J. M.; Kiley, J. H.; English, J. J.; Johnson, C. A.; Petersen, R. C.; Haley, M. M. Org. Lett. 2000, 2, 969-972
12. Bunz, U. H. F.; Rubin, Y.; Tobe, Y. Chem. Soc. Rev. 1999, 28, 107-119
13. Liu, H.; Xu, J.; Li, Y.; Li, Y. Acc. Chem. Res. 2010, 43, 1496-1508
14. Topsakal, M.; Akturk, E.; Ciraci, S. Phys. Rev. B 2009, 79, 115442
15. Narita, N.; Nagai, S.; Suzuki, S.; Nakao, K. Phys. Rev. B 1998, 58, 11009-11014
16. Coluci, V. R.; Braga, S. F.; Legoas, S. B.; Galvao, D. S.; Baughman, R. H. Phys. Rev. B 2003, 68, 035430
17. Zhou, J.; Lv, K.; Wang, Q.; Chen, X. S.; Sun, Q.; Jena, P. J. Chem. Phys. 2011, 134, 174701
18. Pan, L. D.; Zhang, L. Z.; Song, B. Q.; Du, S. X.; Gao, H. J. Appl. Phys. Lett. 2011, 98, 173102
19. Malko, D.; Neiss, C.; Vines, F.; Gorling, A. Phys. Rev. B 2012, 86, 045443
20. Sahin, H.; Ataca, C.; Ciraci, S. Appl. Phys. Lett. 2009, 95, 222510
21. Blochl, P. E. Phys. Rev. B 1994, 50, 17953-17979
22. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558-561
23. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169-11186
24. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671-6687
25. Grimme, S. J. Comput. Chem. 2006, 27, 1787-1799
26. Monkhorst, H. J.; Pack, J. D. J. Comput. Chem. 1976, 13, 5188
27. Giannozzi, P. e. a. J. Phys.: Condens. Matter 2009, 21, 395502
28. Tongay, S.; Senger, R. T.; Dag, S.; Ciraci, S. Phys. Rev. Lett. 2004, 93, 136404
29. Pauling, L. The Nature of the Chemical Bonds, 3 rd ed.; Cornell University Press: New York, 1960.
30. Eisler, S.; Aaron, D.; Elliott, E.; Luu, T.; McDonald, R.; Hegmann, F. A.; Tykwinski, R. R. J. Am. Chem. Soc. 2005, 127, 2666-26676
31. Meyer, J. C.; Girit, C. O.; Crommmie, M. F.; Zettl, A. Nature (London) 2008, 454, 319-322
32. Chalifoux, W. A.; Tykwinski, R. R. Nature Chem. 2010, 2, 967-971
33. Kittel, C. Introduction to Solid State Physics, 8 th ed.; John Wiley & Sons: New York, 1996.
34. Tongay, S.; Durgun, E.; Ciraci, S. Appl. Phys. Lett. 2004, 85, 6179
35. Cahangirov, S.; Topsakal, M.; Ciraci, S. Phys. Rev. B 2010, 82, 195444
36. Cahangirov, S.; Topsakal, M.; Akturk, E.; Sahin, H.; Ciraci, S. Phys. Rev. Lett. 2009, 102, 236804
37. Ataca, C.; Ciraci, S. Phys. Rev. B 2011, 83, 235417
38. Özçelik, V. O.; Ciraci, S. Phys. Rev. B 2012, 86, 155421
39. Özçelik, V. O.; Cahangirov, S.; Ciraci, S. Phys. Rev. B 2012, 85, 235456
40. Topsakal, M.; Cahangirov, S.; Ciraci, S. Appl. Phys. Lett. 2010, 96, 091912
41. Cranford, S. W.; Buehler, M. J. Carbon 2011, 49, 4111-4121
42. Kang, J.; Li, J.; Wu, F.; Li, S. S.; Xia, J. B. J. Phys. Chem. C 2011, 115, 20466-20470
43. Lee, C.; Wei, X.; Kysar, J. W.; Hone, J. Science 2008, 321, 385-388
44. Sahin, H.; Ciraci, S. Phys. Rev. B 2011, 84, 035452
45. Sofo, J. O.; Chaudhari, A. S.; Barber, G. D. Phys. Rev. B 2007, 75, 153401
46. Averill, F. W.; Morris, J. R.; Cooper, V. R. Phys. Rev. B 2009, 80, 195411
47. Zheng, Q.; Luo, G.; Liu, Q.; Quhe, R.; Zheng, J.; Tang, K.; Gao, Z.; Nagase, S.; Lu, J. Nanoscale 2012, 4, 3990-3996
48. Björkman, T.; Gulans, A.; Krasheninnikov, A. V.; Nieminen, R. M. Phys. Rev. Lett. 2012, 108, 235501
49. Partoens, B.; Peeters, F. M. Phys. Rev. B 2006, 74, 075404
50. Durgun, E.; Senger, R. T.; Mehrez, H.; Dag, S.; Ciraci, S. Europhys. Lett. 2006, 73, 642-648