Intrinsic charge separation and tunable electronic band gap of armchair graphene nanoribbons encapsulated in a double-walled carbon nanotube

Journal of Physical Chemistry Letters

Volumn 4, Issue 8, 2013, Pages 1328-1333

  Kou, Liangzhi ^a   Tang, Chun ^b,c   Frauenheim, Thomas ^a   Chen, Changfeng ^b  

^a UNIVERSITY OF BREMEN   (Germany)

^b UNIVERSITY OF NEVADA   (United States)

^c University of California   (United States)

Author keywords

carbon nanotube; first principles calculations; graphene nanoribbon; heterojunction; photovoltaics

Indexed keywords

ARMCHAIR GRAPHENE NANORIBBONS; DOUBLE-WALLED CARBON NANOTUBES; FIRST-PRINCIPLES CALCULATION; GRAPHENE NANO-RIBBON; GRAPHENE NANORIBBONS (GNRS); NANO-COMPOSITE STRUCTURE; PHOTOVOLTAICS; STRUCTURAL CONFIGURATIONS;

CALCULATIONS; CARBON NANOTUBES; ELECTRONIC PROPERTIES; ENERGY GAP; GRAPHENE; HETEROJUNCTIONS; NANOCOMPOSITES; NANOSTRUCTURES; SEPARATION; TUBES (COMPONENTS);

NANORIBBONS;

EID: 84876573897     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz400037j     Document Type: Article

References (34)

1. Sfeir, M. Y.; Wang, Feng.; Huang, L.; Chuang, C.-C.; Hone, J.; O'Brien, S. P.; Heinz, T. F.; Brus, L. E. Science 2004, 306, 1540-1543
2. Huang, J. Y.; Chen, S.; Wang, Z. Q.; Kempa, K.; Wang, Y. M.; Jo, S. H.; Chen, G. M.; Dresselhaus, S.; Ren, Z. F. Nature 2006, 439, 281
3. Son, Y.-W.; Cohen, M. L.; Louie, S. G. Nature 2006, 444, 347-349
4. Charlier, J. C.; Blase, X.; Roche, S. Rev. Mod. Phys. 2007, 79, 677-732
5. Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.; Novoselov, K. S.; Geim, A. K. Rev. Mod. Phys. 2009, 81, 109-162
6. Zhu, Y. Nat. Commun. 2012, 3, 1225
7. Novaes, F. D.; Rurali, R.; Ordejón, P. ACS Nano 2010, 4, 7596-7602
8. Varshney, V.; Patnaik, S. S.; Roy, A. K.; Froudakis, G.; Farmer, B. L. ACS Nano 2010, 4, 1153-1161
9. Chuvilin, A.; Bichoutskaia, E.; Gimenez-Lopez, M. C.; Chamberlain, T. W.; Rance, G. A.; Kuganathan, N.; Biskupek, J.; Kaiser, U.; Khlobystov, A. N. Nat. Mater. 2011, 10, 687-692
10. Talyzin, A. V.; Anoshkin, I. V.; Krasheninnikov, A. V.; Nieminen, R. M.; Nasibulin, A. G.; Jiang, H.; Kauppinen, E. I. Nano Lett. 2011, 11, 4352-4356
11. Fujihara, M.; Miyata, Y.; Kitaura, R.; Nishimura, Y.; Camacho, C.; Irle, S.; Iizumi, Y.; Okazaki, T.; Shinohara, H. J. Phys. Chem. C 2012, 116, 15141-15145
12. Okada, S.; Saito, S.; Oshiyama, A. Phys. Rev. Lett. 2001, 86, 3835
13. Nasibulin, A. G. Nat. Nanotechnol. 2007, 2, 156
14. Kou, L.; Tang, C.; Wehling, T.; Frauenheim, T.; Chen, C. F. Nanoscale 2013, 5, 3306-3314
15. Jiang, Y.; Li, H.; Li, Y.; Yu, H.; Liew, K. M.; He, Y.; Liu, X. ACS Nano 2011, 5, 2126-2133
16. Li, Y.; Sun, F.; Li, H. J. Phys. Chem. C 2011, 115, 18459-18467
17. Lebedeva, I. V.; Popov, A. M.; Knizhnik, A. A.; Khlobystov, A. N.; Potapkin, B. V. Nanoscale 2012, 4, 4522-4529
18. Chamberlain, T. W.; Biskupek, J.; Rance, G. A.; Chuvilin, A.; Alexander, T. J.; Bichoutskaia, E.; Kaiser, U.; Khlobystov, A. N. ACS Nano 2012, 6, 3943-3953
19. Smith, B. W.; Monthioux, M.; Luzzi, D. E. Nature 1998, 396, 323-324
20. Sloan, J. Chem. Phys. Lett. 2000, 316, 191
21. Kanai, Y.; Grossman, J. C. Nano Lett 2008, 8, 908-912
22. Ren, S.; Bernardi, M.; Lunt, R. R.; Bulovic, V.; Grossman, J. C.; Gradecak, S. Nano Lett 2011, 11, 5316-5321
23. Tian, B.; Zheng, X.; Kempa, T. J.; Fang, Y.; Yu, N.; Yu, G.; Huang, J.; Lieber, C. M. Nature 2007, 449, 885
24. Pallarès, J.; Schropp, R. E. I. J. Appl. Phys. 2000, 88, 293
25. Ng, M.-F.; Tong, S. W. Nano Lett. 2012, 12, 6133-6138
26. Nduwimana, A.; Wang, X.-Q. Nano Lett. 2009, 9, 283-286
27. Nduwimana, A.; Musin, R. N.; Smith, A. M.; Wang, X.-Q. Nano Lett. 2008, 8, 3341-3344
28. Yang, S.; Prendergast, D.; Neaton, J. B. Nano Lett. 2010, 10, 3156-3162
29. Soler, J. M.; Artacho, E.; Gale, J. D.; García, A.; Junquera, J.; Ordejón, P.; Sánchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745-2779
30. Ceperley, D. M.; Alder, B. J. Phys. Rev. Lett. 1980, 45, 566
31. Wu, Z.; Neaton, J. B.; Grossman, J. C. Nano Lett. 2009, 9, 2148-2422
32. Björkman, T.; Gulans, A.; Krasheninnikov, A. V.; Nieminen, R. M. Van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations Phys. Rev. Lett. 2012, 108, 235502
33. Okada, S.; Oshiyama, A. Phys. Rev. Lett. 2003, 91, 216801
34. Bučko, T.; Hafner, J.; Lebégue, S.; ángyán, J. G. J. Phys. Chem. A 2010, 114, 11814-11824