Interfacial properties of bilayer and trilayer graphene on metal substrates

Scientific Reports

Volumn 3, Issue , 2013, Pages

  Zheng, Jiaxin ^a   Wang, Yangyang ^a   Wang, Lu ^b   Quhe, Ruge ^a   Ni, Zeyuan ^a   Mei, Wai Ning ^b   Gao, Zhengxiang ^a   Yu, Dapeng ^a   Shi, Junjie ^a   Lu, Jing ^a  

^a PEKING UNIVERSITY   (China)

^b UNIVERSITY OF NEBRASKA AT OMAHA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84901281776     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep02081     Document Type: Article

References (71)

1. Novoselov, K. S. et al. Electric field effect in atomically thin carbon films. Science 306 (5696), 666-669 (2004).
2. Novoselov, K. S. et al. Two-dimensional gas of massless Dirac fermions in graphene. Nature 438 (7065), 197-200 (2005).
3. Zhang, Y., Tan, Y.-W., Stormer, H. L. & Kim, P. Experimental observation of the quantum Hall effect and Berry's phase in graphene. Nature 438 (7065), 201-204 (2005).
4. Stoller, M. D., Park, S., Zhu, Y., An, J. & Ruoff, R. S. Graphene-based ultracapacitors. Nano Lett. 8(10), 3498-3502 (2008).
5. Ohno, Y., Maehashi, K., Yamashiro, Y. & Matsumoto, K. Electrolyte-gated graphene field-effect transistors for detecting pH and protein adsorption. Nano Lett. 9(9), 3318-3322 (2009).
6. Yoo, E. et al. Large reversible Li storage of graphene nanosheet families for use in rechargeable lithium ion batteries. Nano Lett. 8(8), 2277-2282 (2008).
7. 2-graphene hybrid nanostructures for enhanced Li-ion insertion. ACS Nano 3(4), 907-914 (2009).
8. Gomez De Arco, L. et al. Continuous, highly flexible, and transparent graphene films by chemical vapor deposition for organic photovoltaics. ACS Nano 4(5), 2865-2873 (2010).
9. Li, X. S. et al. Large-area synthesis of high-quality and uniform graphene films on copper foils. Science 324 (5932), 1312-1314 (2009).
10. Bae, S. et al. Roll-to-roll production of 30-inch graphene films for transparent electrodes. Nat. Nanotech. 5(8), 574-578 (2010).
11. Lee, S., Lee, K. & Zhong, Z. H. Wafer scale homogeneous bilayer graphene films by chemical vapor deposition. Nano Lett. 10(11), 4702-4707 (2010).
12. Yan, K., and Peng., H. L., Zhou, Y., Li, H. & Liu, Z. F. Formation of bilayer bernal graphene: Layer-by-layer epitaxy via chemical vapor deposition. Nano Lett. 11(3), 1106-1110 (2011).
13. Robertson, A. W. & Warner, J. H. Hexagonal single crystal domains of few-layer graphene on copper foils. Nano Lett. 11(3), 1182-1189 (2011).
14. Li, Q. et al. Growth of adlayer graphene on Cu studied by carbon isotope labeling. Nano Lett., online, dx.doi.org/10.1021/n1303879k.
15. Eom, D. et al. Structure and electronic properties of graphene nanoislands on Co(0001). Nano Lett. 9(8), 2844-2848 (2009).
16. Reina, A. et al. Large area, few-layer graphene films on arbitrary substrates by chemical vapor deposition. Nano Lett. 9(1), 30-35 (2009).
17. Kim, K. S. et al. Large-scale pattern growth of graphene films for stretchable transparent electrodes. Nature 457 (7230), 706-710 (2009).
18. Sutter, P., Sadowski, J. T. & Sutter, E. Graphene on Pt(111): growth and substrate interaction. Phys. Rev. B 80(24), 245411 (2009).
19. Kwon, S.-Y. et al. Growth of semiconducting graphene on Palladium. Nano Lett. 9(12), 3985-3990 (2009).
20. Oznuluer, T. et al. Synthesis of graphene on gold. Appl. Phys. Lett. 98(18), 3 (2011).
21. Starodub, E. et al. Graphene growth by metal etching on Ru(0001). Phys. Rev. B 80(23), 235422 (2009).
22. Sutter, P., and Hybertsen., M. S., Sadowski, J. T. & Sutter, E. Electronic structure of fewlayer epitaxial graphene on Ru (0001). Nano Lett. 9(7), 2654-2660 (2009).
23. Voloshina, E. & Dedkov, Y. Graphene on metallic surfaces: problems and perspectives. Phys. Chem. Chem. Phys. 14(39), 13502-13514 (2012).
24. Pletikosić, I. et al. Dirac cones and minigaps for graphene on Ir(111). Phys. Rev. Lett. 102(5), 056808 (2009).
25. Johann, C. et al. Growth of graphene on Ir(111). New J. Phys. 11(2), 023006 (2009).
26. McCann, E. Asymmetry gap in the electronic band structure of bilayer graphene. Phys. Rev. B 74(16), 161403 (2006).
27. Castro, E. V. et al. Biased bilayer graphene: semiconductor with a gap tunable by the electric field effect. Phys. Rev. Lett. 99(21), 216802 (2007).
28. Min, H. K., Sahu, B., Banerjee, S. K. & MacDonald, A. H. Ab initio theory of gate induced gaps in graphene bilayers. Phys. Rev. B 75(15), 155115 (2007).
29. Zhang, Y. B. et al. Direct observation of a widely tunable bandgap in bilayer graphene. Nature 459 (7248), 820-823 (2009).
30. Castro, E. V. et al. Electronic properties of a biased graphene bilayer. J. Phys. - Condes. Matter 22(17), 175503 (2010).
31. Lui, C. H., Li, Z., Mak, K. F., Cappelluti, E. & Heinz, T. F. Observation of an electrically tunable band gap in trilayer graphene. Nat. Phys. 7(12), 944-947 (2011).
32. Tang, K. C. et al. Electric-field-induced energy gap in few-layer graphene. J. Phys. Chem. C 115(19), 9458-9464 (2011).
33. Bao, W. et al. Stacking-dependent band gap and quantum transport in trilayer graphene. Nat. Phys. 7(12), 948-952 (2011).
34. Zhang, F., Sahu, B., Min, H. & MacDonald, A. H. Band structure of ABC-stacked graphene trilayers. Phys. Rev. B 82(3), 035409 (2010).
35. Giovannetti, G. et al. Doping graphene with metal contacts. Phys. Rev. Lett. 101(2), 026803 (2008).
36. Khomyakov, P. A. et al. First-principles study of the interaction and charge transfer between graphene and metals. Phys. Rev. B 79(19), 195425 (2009).
37. Gao, M. et al. Tunable interfacial properties of epitaxial graphene on metal substrates. Appl. Phys. Lett. 96(5), 053109 (2010).
38. Xu, Z. P. & Buehler, M. J. Interface structure and mechanics between graphene and metal substrates: a first-principles study. J. Phys. Condens. Mat. 22(48), 485301 (2010).
39. Craciun, M. F. et al. Trilayer graphene is a semimetal with a gate-tunable band overlap. Nat. Nanotech. 4(6), 383-388 (2009).
40. Barraza-Lopez, S., Vanevic, M., Kindermann, M. & Chou, M. Y. Effects of metallic contacts on electron transport through graphene. Phys. Rev. Lett. 104(7), 076807 (2010).
41. Maassen, J., Ji, W. & Guo, H. First principles study of electronic transport through a Cu(111) graphene junction. Appl. Phys. Lett. 97(14) (2010).
42. Maassen, J., Ji, W. & Guo, H. Graphene Spintronics: The Role of Ferromagnetic Electrodes. Nano Lett. 11(1), 151-155 (2011).
43. Stokbro, K., Engelund, M. & Blom, A. Atomic-scale model for the contact resistance of the nickel-graphene interface. Phys. Rev. B 85(16) (2012).
44. Xia, F. N., and Farmer., D. B., Lin, Y.-M. & Avouris, P. Graphene field-effect transistors with high on/off current ratio and large transport band gap at room temperature. Nano Lett. 10(2), 715-718 (2010).
45. Quhe, R. et al. Tunable and sizable band gap of single-layer graphene sandwiched between hexagonal boron nitride. NPG Asia Mater. 4, e6; doi:10.1038/ am.2012.1010 (2012).
46. Ohta, T., Bostwick, A., Seyller, T., Horn, K. & Rotenberg, E. Controlling the electronic structure of bilayer graphene. Science 313 (5789), 951-954 (2006).
47. Avetisyan, A. A., Partoens, B. & Peeters, F. M. Electric field tuning of the band gap in graphene multilayers. Phys. Rev. B 79(3), 035421 (2009).
48. Avetisyan, A. A., Partoens, B. & Peeters, F. M. Electric-field control of the band gap and Fermi energy in graphene multilayers by top and back gates. Phys. Rev. B 80(19), 195401 (2009).
49. Szafranek, B. N., Schall, D., Otto, M., Neumaier, D. & Kurz, H. High on/off ratios in bilayer graphene field effect transistors realized by surface dopants. Nano Lett. 11(7), 2640-2643 (2011).
50. Barraza-Lopez, S., Kindermann, M. & Chou, M. Y. Charge Transport through Graphene Junctions with Wetting Metal Leads. Nano Lett. 12(7), 3424-3430 (2012).
51. Gong, S. J. et al. Spintronic properties of graphene films grown on Ni(111) substrate. J. Appl. Phys. 110(4), 043704-043705 (2011).
52. Ni, Z. Y. et al. Tunable bandgap in silicene and germanene. Nano Lett. 12(1), 113-118 (2012).
53. Vanin, M. et al. Graphene on metals: A van der Waals density functional study. Phys. Rev. B 81(8), 081408 (2010).
54. Busse, C. et al. Graphene on Ir(111): Physisorption with Chemical Modulation. Phys. Rev. Lett. 107(3), 036101 (2011).
55. Olsen, T., Yan, J., Mortensen, J. J. & Thygesen, K. S. Dispersive and covalent interactions between graphene and metal surfaces from the random phase approximation. Phys. Rev. Lett. 107(15), 156401 (2011).
56. Olsen, T. & Thygesen, K. S. Random phase approximation applied to solids, molecules, and graphene-metal interfaces: From van der Waals to covalent bonding. Phys. Rev. B 87(7), 075111 (2013).
57. Hamada, I. & Otani, M. Comparative van der Waals density-functional study of graphene on metal surfaces. Phys. Rev. B 82(15), 153412 (2010).
58. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77(18), 3865-3868 (1996).
59. Varykhalov, A., and Scholz., M. R., Kim, T. K. & Rader, O. Effect of noble-metal contacts on doping and band gapofgraphene. Phys. Rev. B 82(12), 121101 (2010).
60. Walter, A. L. et al. Electronic structure of graphene on single-crystal copper substrates. Phys. Rev. B 84(19), 195443 (2011).
61. Hammer, B. & Norskov, J. K. Theoretical surface science and catalysis - calculations and concepts in Advances in Catalysis: Impact of Surface Science on Catalysis, edited by Gates, B. C. & Knozinger, H. Vol. 45, pp. 71-129 (2000).
62. Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 41(11), 7892-7895 (1990).
63. Clark, S. J. et al. First principles methods using CASTEP. Z. Kristallogr. 220(5-6), 567-570 (2005).
64. Tkatchenko, A. & Scheffler, M. Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data. Phys. Rev. Lett. 102(7), 073005 (2009).
65. Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13(12), 5188-5192 (1976).
66. Kresse, G. & Hafner, J. Abinitio molecular-dynamics for liquid-metals. Phys. Rev. B 47(1), 558-561 (1993).
67. Kresse, G. & Furthmuller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp. Mater. Sci. 6(1), 15-50 (1996).
68. Ceperley, D. M. & Alder, B. J. Ground state of the electron gas by a stochastic method. Phys. Rev. Lett. 45(7), 566-569 (1980).
69. Perdew, J. P. & Zunger, A. Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 23(10), 5048-5079 (1981).
70. Taylor, J., Guo, H. & Wang, J. Ab initio modelingofquantum transport properties of molecular electronic devices. Phys. Rev. B 63(24), 245407 (2001).
71. Brandbyge, M., Mozos, J.-L., Ordejn, P., Taylor, J. & Stokbro, K. Density-functional method for nonequilibrium electron transport. Phys. Rev. B 65(16), 165401 (2002).