Two-dimensional boron-nitrogen-carbon monolayers with tunable direct band gaps

Nanoscale

Volumn 7, Issue 28, 2015, Pages 12023-12029

  Zhang, Miao ^a,b   Gao, Guoying ^c   Kutana, Alex ^c   Wang, Yanchao ^a   Zou, Xiaolong ^c   Tse, John S ^a,d   Yakobson, Boris I ^c   Li, Hongdong ^a   Liu, Hanyu ^d,e   Ma, Yanming ^a  

^a JILIN UNIVERSITY   (China)

^b BEIHUA UNIVERSITY   (China)

^c RICE UNIVERSITY   (United States)

^d UNIVERSITY OF SASKATCHEWAN   (Canada)

^e GEOPHYSICAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORON; CARBON; DENSITY FUNCTIONAL THEORY; GLOBAL OPTIMIZATION; MICROELECTRONICS; MONOLAYERS; NITROGEN; PHOTOVOLTAIC CELLS; SEMICONDUCTOR JUNCTIONS; SOLAR ENERGY; SOLAR POWER GENERATION; STOICHIOMETRY;

CLUSTER EXPANSION; ENGINEERED MATERIALS; GLOBAL OPTIMIZATION METHOD; HIGH EFFICIENCY CONVERSIONS; MICRO-ELECTRONIC DEVICES; PHOTOVOLTAIC MODULES; STRUCTURAL CALCULATIONS; TWO DIMENSIONAL (2 D);

ENERGY GAP;

EID: 84936976960     PISSN: 20403364     EISSN: 20403372     Source Type: Journal    
DOI: 10.1039/c5nr03344f     Document Type: Article

References (47)

1. A. Nag K. Raidongia K. P. Hembram R. Datta U. V. Waghmare C. Rao ACS Nano 2010 4 1539 1544
2. E. Almahmoud I. Kornev L. Bellaiche Phys. Rev. B: Condens. Matter 2010 81 064105
3. J. Zhou Q. Wang Q. Sun P. Jena Phys. Rev. B: Condens. Matter 2010 81 085442
4. K. F. Mak C. Lee J. Hone J. Shan T. F. Heinz Phys. Rev. Lett. 2010 105 136805
5. Z. Yin H. Li H. Li L. Jiang Y. Shi Y. Sun G. Lu Q. Zhang X. Chen H. Zhang ACS Nano 2011 6 74 80
6. M. S. Hybertsen S. G. Louie Phys. Rev. Lett. 1985 55 1418
7. D. Y. Kim S. Stefanoski O. O. Kurakevych T. A. Strobel Nat. Mater. 2015 14 163
8. S. Botti J. A. Flores-Livas M. Amsler S. Goedecker M. A. Marques Phys. Rev. B: Condens. Matter 2012 86 121204
9. H. Xiang B. Huang E. Kan S.-H. Wei X. Gong Phys. Rev. Lett. 2013 110 118702
10. Q. Wang B. Xu J. Sun H. Liu Z. Zhao D. Yu C. Fan J. He J. Am. Chem. Soc. 2014 136 9826 9829
11. W. Luo Y. Ma X. Gong H. Xiang J. Am. Chem. Soc. 2014 136 15992 15997
12. L. L. Kazmerski J. Electron Spectrosc. Relat. Phenom. 2006 150 105 135
13. Z. Zhang W. Guo Phys. Rev. B: Condens. Matter 2008 77 075403
14. Z. Zhang W. Guo B. I. Yakobson Nanoscale 2013 5 6381 6387
15. L. Ci L. Song C. Jin D. Jariwala D. Wu Y. Li A. Srivastava Z. Wang K. Storr L. Balicas Nat. Mater. 2010 9 430 435
16. Y. Gong G. Shi Z. Zhang W. Zhou J. Jung W. Gao L. Ma Y. Yang S. Yang G. You Nat. Commun. 2014 5 3193
17. J. Lu K. Zhang X. F. Liu H. Zhang T. C. Sum A. H. C. Neto K. P. Loh Nat. Commun. 2013 4 2681
18. E. J. Kan X. Wu Z. Li X. C. Zeng J. Yang J. Hou J. Chem. Phys. 2008 129 084712
19. P. Lu Z. Zhang W. Guo J. Phys. Chem. C 2011 115 3572 3577
20. Y. Liu S. Bhowmick B. I. Yakobson Nano Lett. 2011 11 3113 3116
21. K. Rapcewicz B. Chen B. I. Yakobson J. Bernholc Phys. Rev. B: Condens. Matter 1998 57 7281
22. S. Bhowmick A. K. Singh B. I. Yakobson J. Phys. Chem. C 2011 115 9889 9893
23. Y. Wang J. Lv L. Zhu Y. Ma Phys. Rev. B: Condens. Matter 2010 82 094116
24. Y. Wang M. Miao J. Lv L. Zhu K. Yin H. Liu Y. Ma J. Chem. Phys. 2012 137 224108
25. J. M. Sanchez F. Ducastelle D. Gratias Physica A 1984 128 334 350
26. H. Nozaki S. Itoh J. Phys. Chem. Solids 1996 57 41 49
27. Z. Shi A. Kutana B. I. Yakobson J. Phys. Chem. Lett. 2014 6 106
28. S. Mohr P. Pochet M. Amsler B. Schaefer A. Sadeghi L. Genovese S. Goedecker Phys. Rev. B: Condens. Matter 2014 89 041404
29. E. S. Penev S. Bhowmick A. Sadrzadeh B. I. Yakobson Nano Lett. 2012 12 2441 2445
30. X. Wu J. Dai Y. Zhao Z. Zhuo J. Yang X. C. Zeng ACS Nano 2012 6 7443 7453
31. Y. Kubota K. Watanabe O. Tsuda T. Taniguchi Science 2007 317 932 934
32. J. Heyd G. E. Scuseria M. Ernzerhof J. Chem. Phys. 2006 124
33. A. Kutana E. S. Penev B. I. Yakobson Nanoscale 2014 6 5820 5825
34. W. Shockley H. J. Queisser J. Appl. Phys. 1961 32 510 519
35. R. Service Science 2008 319 718
36. Y. Li Y. Liao Z. Chen Angew. Chem., Int. Ed. 2014 53 7248 7252
37. L. Zhu H. Wang Y. Wang J. Lv Y. Ma Q. Cui Y. Ma G. Zou Phys. Rev. Lett. 2011 106 145501
38. J. Lv Y. Wang L. Zhu Y. Ma Phys. Rev. Lett. 2011 106 015503
39. Q. Li D. Zhou W. Zheng Y. Ma C. Chen Phys. Rev. Lett. 2013 110 136403
40. X. Wang Y. Wang M. Miao X. Zhong J. Lv T. Cui J. Li L. Chen C. J. Pickard Y. Ma Phys. Rev. Lett. 2012 109 175502
41. P. E. Blochl Phys. Rev. B: Condens. Matter 1994 50 17953
42. G. Kresse D. Joubert Phys. Rev. B: Condens. Matter 1999 59 1758
43. G. Kresse J. Furthmüller Phys. Rev. B: Condens. Matter 1996 54 11169
44. J. P. Perdew K. Burke M. Ernzerhof Phys. Rev. Lett. 1996 77 3865 3868
45. J. Heyd G. E. Scuseria M. Ernzerhof J. Chem. Phys. 2003 118 8207
46. A. Togo F. Oba I. Tanaka Phys. Rev. B: Condens. Matter 2008 78 134106
47. A. Van de Walle M. Asta G. Ceder CALPHAD 2002 26 539 553