Tuning the electronic structure of graphene nanoribbons through chemical edge modification: A theoretical study

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 11, 2007, Pages

  Wang, Z F ^a   Li, Qunxiang ^a   Zheng, Huaixiu ^a   Ren, Hao ^a   Su, Haibin ^b   Shi, Q W ^a   Chen, Jie ^c  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^c UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33947644400     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.113406     Document Type: Article

References (32)

1. C. W. Bauschlicher, Jr., Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(00)00426-7 322, 237 (2000).
2. M. Burghard, Surf. Sci. Rep. SSREDI 0167-5729 58, 1 (2005).
3. X. Lu and Z. F. Chen, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr030093d 105, 3643 (2005).
4. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Science SCIEAS 0036-8075 10.1126/science.1102896 306, 666 (2004).
5. K. S. Novoselov, A. K. Geim, S. V. Morozov, and D. Jiang, Nature (London) NATUAS 0028-0836 10.1038/nature04233 438, 197 (2005);
6. Y. B. Zhang, Y. W. Tan, and H. L. Stormer, Nature (London) NATUAS 0028-0836 10.1038/nature04235 438, 201 (2005);
7. C. L. Kane and E. J. Mele, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.226801 95, 226801 (2005).
8. Claire Berger, Zhimin Song, Xuebin Li, Xiaosong Wu, Nate Brown, Cécile Naud, Didier Mayou, Tianbo Li, Joanna Hass, Alexei N. Marchenkov, Edward H. Conrad, Phillip N. First, and Walt A. de Heer, Science SCIEAS 0036-8075 10.1126/science.1125925 312, 1191 (2006).
9. C. Berger, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp040650f 108, 19912 (2004).
10. Y. Niimi, T. Matsui, H. Kambara, K. Tagami, M. Tsukada, and H. Fukuyama, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/j.apsusc.2004.09.091 241, 43 (2005).
11. Y. Kobayashi, K. I. Fukui, T. Enoki, K. Kusakabe, and Y. Kaburagi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.193406 71, 193406 (2005).
12. Y. Niimi, T. Matsui, H. Kambara, K. Tagami, M. Tsukada, and H. Fukuyama, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.085421 73, 085421 (2006).
13. H. Hosoya, H. Kumazaki, K. Chida, M. Ohuchi, and Y.-D. Gao, Pure Appl. Chem. PACHAS 0033-4545 62, 445 (1990).
14. K. Nakada, M. Fujita, G. Dresselhaus, and M. S. Dresselhaus, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.17954 54, 17954 (1996).
15. M. Fujita, K. Wakabayashi, K. Nakada, and K. Kusakabe, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.65.1920 65, 1920 (1996).
16. Y.-L. Lee and Y.-W. Lee, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.245402 66, 245402 (2002).
17. K. Wakabayashi, M. Fujita, H. Ajiki, and M. Sigrist, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.8271 59, 8271 (1999).
18. Y. Miyamoto, K. Nakada, and M. Fujita, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.9858 59, 9858 (1999).
19. J. Taylor, M. Brandyge, and K. Stokbro, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.121101 68, 121101 (2003);
20. M. Ernzerhof, M. Zhuang, and P. Rocheleau, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2049249 123, 134704 (2005).
21. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994).
22. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996);
23. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
24. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980);
25. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
26. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRevB.136.B864 136, B 864 (1964);
27. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
28. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
29. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
30. D. Porezag, Th. Frauenheim, Th. Kohler, G. Seifert, and R. Kaschner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.12947 51, 12947 (1995).
31. K. Sasaki, S. Murakami, and R. Saito, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2181274 88, 113110 (2006).
32. Y.-W. Son, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.216803 97, 216803 (2006).