The role of chemistry in graphene doping for carbon-based electronics

ACS Nano

Volumn 5, Issue 4, 2011, Pages 3096-3103

  Nistor, Razvan A ^a   Newns, Dennis M ^a   Martyna, Glenn J ^a  

^a IBM T J WATSON RESEARCH CENTER   (United States)

Author keywords

ab initio simulations; catalysis; doping; graphene; redox reactions

Indexed keywords

AB INITIO SIMULATIONS; CARBON LATTICES; CARBON-BASED ELECTRONICS; CHARGE TRANSFER COMPLEX; DISPROPORTIONATIONS; DOPING; DOPING MECHANISM; ELECTRONIC CONDUCTIVITY; GRAPHENE SHEETS; MAJORITY CARRIERS; MICROSCOPIC MECHANISMS; OPTICAL TRANSPARENCY; SCIENCE AND TECHNOLOGY; SOLID COMPOUNDS;

CATALYSIS; CHARGE TRANSFER; DOPING (ADDITIVES); INTERCALATION; REDOX REACTIONS; TWO DIMENSIONAL;

GRAPHENE;

EID: 79955427882     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn200225f     Document Type: Article

References (74)

1. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Electric Field Effect in Atomically Thin Carbon Films Science 2004, 306, 666-669 (Pubitemid 39440910)
2. Berger, C.; Song, Z.; Li, T.; Li, X.; Ogbazghi, A. Y.; Feng, R.; Dai, Z.; Marchenkov, A. N.; Conrad, E. H.; First, P. N.; et al. Ultrathin Epitaxial Graphite: 2D Electron Gas Properties and a Route Toward Graphene-Based Nanoelectronics J. Phys. Chem. B 2004, 108, 19912-19916 (Pubitemid 40079151)
3. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Katsnelson, M. I.; Grigorieva, I. V.; Dubonos, S. V.; Firsov, A. A. Two-Dimensional Gas of Massless Dirac Fermions in Graphene Nature 2005, 438, 197-200 (Pubitemid 41599867)
4. Bolotin, K. I.; Sikes, K. J.; Jiang, Z.; Klima, M.; Fudenberg, G.; Hone, J.; Kim, P.; Stormer, H. L. Ultrahigh Electron Mobility in Suspended Graphene Solid State Commun. 2005, 146, 351-355
5. Nair, R. R.; Blake, P.; Grigorenko, A. N.; Novoselov, K. S.; Booth, T. J.; Stauber, T.; Peres, N. M. R.; Geim, A. K. Fine Structure Constant Defines Visual Transparency of Graphene Science 2008, 320, 1308 (Pubitemid 351929460)
6. Lee, C.; Wei, X.; Kysar, J. W.; Hone, J. Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene Science 2008, 321, 385-388 (Pubitemid 352029970)
7. Geim, A. K.; Novoselov, K. S. The Rise of Graphene Nat. Mater. 2007, 6, 183-191 (Pubitemid 46353764)
8. Avouris, P.; Chen, Z; Perebeinos, V. Carbon-Based Electronics Nat. Nanotechnol. 2007, 2, 605-615 (Pubitemid 47525190)
9. Wang, X.; Zhi, L.; Müllen, K. Transparent, Condutive Graphene Electrodes for Dye-Sensitized Solar Cells Nano Lett. 2008, 8, 323-327 (Pubitemid 351177822)
10. Kim, Ke. S.; Zhao, Y.; Jang, H.; Lee, S. Y.; Kim, J. M.; Kim, Kw. S.; Ahn, J.-H.; Kim, P.; Choi, J.-Y.; Hong, B. H. Large-Scale Pattern Growth of Graphene Films for Stretchable Transparent Electrodes Nature 2009, 457, 706-710
11. Giovannetti, G.; Khomyakov, P. A.; Brocks, G.; Karpan, V. M.; van den Brink, J.; Kelly, P. J. Doping Graphene with Metal Contacts Phys. Rev. Lett. 2008, 101, 026803-1-026803-4
12. Khomyakov, P. A.; Starikov, A. A.; Brocks, G.; Kelly, P. J. Nonlinear Screening of Charges Induced in Graphene by Metal Contacts Phys. Rev. B 2010, 82, 115437-1-115437-6
13. Chen, W.; Chen, S.; Qi, D. C.; Gao, X. Y.; Wee, A. T. S. Surface Transfer p-Type Doping of Epitaxial Graphene J. Am. Chem. Soc. 2007, 129, 10418-10422 (Pubitemid 47330259)
14. Coletti, C.; Riedl, C.; Lee, D. S.; Krauss, B.; Patthey, L.; von Klitzing, K.; Smet, J. H.; Starke, U. Charge Neutrality and Band-Gap Tuning of Epitaxial Graphene on SiC by Molecular Doping Phys. Rev. B 2010, 81, 235401-1-235401-8
15. Choi, J.; Lee, H.; Kim, K.-J.; Kim, B.; Kim, S. Chemical Doping of Epitaxial Graphene by Organic Free Radicals J. Phys. Chem. Lett. 2010, 1, 505-509
16. 2 Appl. Phys. Lett. 2007, 91, 241907-1-241907-3
17. Casiraghi, C.; Pisana, S.; Novoselov, K. S.; Geim, A. K.; Ferrari, A. C. Raman Fingerprint of Charged Impurities in Graphene Appl. Phys. Lett. 2007, 91, 233108-1-233108-3
18. 2 Phys. Rev. B 2008, 78, 115404-1-115404-5
19. 2 Substrate Nano Lett. 2010, 10, 4944-4951
20. Wang, X.; Li, X.; Zhang, L.; Yoon, Y.; Weber, P. K.; Wang, H.; Guo, J.; Dai, H. n -Doping of Graphene Through Electrothermal Reactions with Ammonia Science 2009, 324, 768-771
21. Wei, D.; Liu, Y.; Wang, Y.; Zhang, H.; Huang, L.; Yu, G. Synthesis of n -Doped Graphene by Chemical Vapor Deposition and Its Electrical Properties Nano Lett. 2009, 9, 1752-1758
22. Panchakarla, L. S.; Subrahmanyam, K. S.; Saha, S. K.; Govindaraj, A.; Krishnamurthy, H. R.; Waghmare, U. V.; Rao, C. N. R. Synthesis, Structure, and Properties of Boron- and Nitrogen-Doped Graphene Adv. Mater. 2009, 21, 4726-4730
23. Guo, B.; Liu, Q.; Chen, E.; Zhu, H.; Fang, L.; Gong, J. R. Controllable n -Doping of Graphene Nano Lett. 2010, 10, 4975-4980
24. Schedin, F.; Geim, A. K.; Morozov, S. V.; Hill, E. W.; Blake, P.; Katsnelson, M. I.; Novoselov, K. S. Detection of Individual Gas Molecules Adsorbed on Graphene Nat. Mater. 2007, 6, 652-655 (Pubitemid 47359547)
25. Wehling, T. O.; Novoselov, K. S.; Morozov, S. V.; Vdovin, E. E.; Katsnelson, M. I.; Geim, A. K.; Lichtenstein, A. I. Molecular Doping of Graphene Nano Lett. 2008, 8, 173-177 (Pubitemid 351177796)
26. 2, and NO on Graphene: A First-Principles Study Phys. Rev. B 2008, 77, 125416-1-125416-6
27. Gierz, I.; Riedl, C.; Starke, U.; Ast, C. R.; Kern, K. Atomic Hole Doping of Graphene Nano Lett. 2008, 8, 4603-4607
28. Kim, K. K.; Reina, A.; Shi, Y.; Park, H.; Li, L.-J.; Lee, Y. H.; Kong, J. Enhancing the Conductivity of Transparent Graphene Films via Doping Nanotechnology 2010, 21, 285205-1-285205-6
29. Liu, L.; Ryu, S.; Tomasik, M. R.; Stolyarova, E.; Jung, N.; Hybertsen, M. S.; Steigerwald, M. L.; Brus, L. E.; Flynn, G. W. Graphene Oxidation: Thickness-Dependent Etching and Strong Chemical Doping Nano Lett. 2008, 8, 1965-1970
30. Farmer, D. B.; Golizadeh-Mojarad, R.; Perebeinos, V.; Lin, Y.-M.; Tulevski, G. S.; Tsang, J. C.; Avouris, P. Chemical Doping and Electron-Hole Conduction Asymmetry in Graphene Devices Nano Lett. 2009, 9, 388-392
31. Dong, X.; Fu, D.; Fang, W.; Shi, Y.; Chen, P.; Li, L.-J. Doping Single-Layer Graphene with Aromatic Molecules Small 2009, 5, 1422-1426
32. Chen, J.-H.; Jang, C.; Adam, S.; Fuhrer, M. S.; Williams, E. D.; Ishigami, M. Charged-Impurity Scattering in Graphene Nat. Phys. 2008, 4, 377-381
33. Chen, J.; Klinke, C.; Afzali, A; Avouris, P. Self-Aligned Carbon Nanotube Transistors with Charge Transfer Doping Appl. Phys. Lett. 2005, 86, 123108-1-123108-3
34. Kasry, A.; Kuroda, M. A.; Martyna, G. J.; Tulevski, G. S; Bol, A. A. Chemical Doping of Large-Area Stacked Graphene Films for Use as Transparent, Conducting Electrodes ACS Nano 2010, 4, 3839-3844
35. Qu, L.; Liu, Y.; Baek, J.-B.; Dai, L. Nitrogen-Doped Graphene as Efficient Metal-free Electrocatalyst for Oxygen Reduction in Fuel Cells ACS Nano 2010, 4, 1321-1326
36. Wang, Y.; Shao, Y.; Matson, D. W.; Li, J.; Lin, Y. Nitrogen-Doped Graphene and Its Application in Electrochemical Biosensing ACS Nano 2010, 4, 1790-1798
37. Selig, H.; Ebert, L. Graphite Intercalation Compounds Adv. Inorg. Chem. Radiochem. 1980, 23, 281-327
38. Gurney, R. W. Theory of Electrical Double Layers in Adsorbed Films Phys. Rev. 1935, 47, 479-482
39. Langmuir, I. Vapor Pressures, Evaporation, Condensation, and Adsorption J. Am. Chem. Soc. 1932, 54, 2798-2832
40. Neaton, J. B.; Hybertsen, M. S.; Louie, S. G. Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces Phys. Rev. Lett. 2006, 97, 216405-1-216405-4
41. Polini, M.; Tomadin, A.; Asgari, R; MacDonald, A. H. Density Functional Theory of Graphene Sheets Phys. Rev. B 2008, 78, 115426-1-115426-12
42. ′, Z. L.; Goodman, F. O. Nonlinear Screening of External Charge by Doped Graphene Phys. Rev. B 2010, 81, 085416-1-085416-12
43. Anderson, P. W. Localized Magnetic States in Metals Phys. Rev. 1961, 124, 41-53
44. Newns, D. M. Self-Consistent Model of Hydrogen Chemisorption Phys. Rev. 1969, 178, 1123-1135
45. Hewson, A. C.; Newns, D. M. Effect of the Image Force in Chemisorption Jpn. J. Appl. Phys. Suppl. 1974, 2, 121
46. Chorkendorff, I.; Niemantsverdriet, J. W. In Concepts of Modern Catalysis and Kinetics; Wiley-VCH: Weinheim, Germany, 2003; pp 236 - 246.
47. Hammer, B.; Norskov, J. K. Why Gold Is the Noblest of All the Metals Nature 1995, 376, 238-240
48. Sofo, J. O.; Chaudhari, A. S.; Barber, G. D. Graphane: A Two-Dimensional Hydrocarbon Phys. Rev. B 2007, 75, 153401-1-153401-4
49. Dreyer, D. R.; Park, S.; Bielawski, C. W.; Ruoff, R. S. The Chemistry of Graphene Oxide Chem. Soc. Rev. 2010, 39, 228-230
50. Weiss, A. A Secret of Chinese Porcelain Manufacture Angew. Chem., Int. Ed. 1963, 2, 697-703
51. Ebert, L. B. Intercalation Compounds of Graphite Annu. Rev. Mater. Sci. 1976, 6, 181-212
52. Dresselhaus, M. S.; Dresselhaus, G Intercalation Compounds of Graphite Adv. Phys. 2002, 51, 1-186 (Pubitemid 34590200)
53. Forsman, W. C.; Dziemianowicz, T.; Leong, K; Carl, D. Graphite Intercalation Chemistry: An Interpretive Review Synth. Met. 1983, 5, 77-100 (Pubitemid 13524704)
54. McKelvy, M. J.; Glaunsinger, W. S. Molecular Intercalation Reactions in Lamellar Compounds Annu. Rev. Phys. Chem. 1990, 41, 497-523
55. Sorokina, N. E.; Nikol'skaya, I. V.; Ionov, S. G.; Avdeev, V. V. Acceptor-Type Graphite Intercalation Compounds and New Carbon Materials Based on Them Russ. Chem. Bull., Int. Ed. 2005, 54, 1749-1767 (Pubitemid 43191965)
56. Chandra, B; Afzali, A.; Khare, N.; El-Ashry, M. M.; Tulevski, G. S. Stable Charge-Transfer Doping of Transparent Single Walled Carbon Nanotube Films Chem. Mater. 2010, 22, 5179-5183
57. 5 Graphite Intercalation Compounds J. Phys.: Condens. Matter. 1997, 9, 10399-10420 (Pubitemid 127614166)
58. 3 Graphite Intercalation Compounds Chem. Phys. 1999, 242, 273-281
59. 3 Inorg. Mater. 2001, 37, 360-365
60. Johnstone, R. A. W.; Loureiro, R. M. S.; Cristiano, M. L. S.; Labat, G. Bond Energy/Bond Order Relationships for N-O Linkages and a Quantitative Measure of Ionicity: The Role of Nitro Groups in Hydrogen-Bonding ARKIVOC 2010, 2010, 142-169
61. 3 Graphite Intercalation Compound J. Phys.: Condens. Matter. 1994, 6, 3031-3038
62. Leung, S. Y.; Dresselhaus, M. S.; Underhill, C.; Krapchev, T.; Dresselhaus, G; Wuensch, B. J. Structural Studies of Graphite Intercalation Compounds Using (00 l) X-ray Diffraction Phys. Rev. B 1981, 24, 3505-3518
63. 3 Phys. Rev. B 1980, 21, 862-868
64. Li, X.; Cai, W.; An, J.; Kim, S.; Nah, J.; Yang, D.; Piner, R.; Velamakanni, A.; Jung, I.; Tutuc, E.; et al. Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils Science 2009, 324, 1312-1314
65. Car, R.; Parrinello, M. Unified Approach for Molecular Dynamics and Density Functional Theory Phys. Rev. Lett. 1985, 55, 2471-2474
66. Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas Phys. Rev. 1964, 136, B864-B871
67. Kohn, W.; Sham, L. J. Self-Consistent Equations Including Exchange and Correlation Effects Phys. Rev. 1965, 140, A1133-A1138
68. Martyna, G. J.; Klein, M. L.; Tuckerman, M. Nosé Hoover Chains: The Canonical Ensemble via Continuous Dynamics J. Chem. Phys. 1992, 97, 2635-2644
69. Bohm, E.; Bhatele, A.; Kale, L. V.; Tuckerman, M. E.; Kumar, S.; Gunnels, J. A.; Martyna, G. J. Fine-Grained Parallelization of the Car-Parrinello ab Initio Molecular Dynamics Method on the IBM Blue Gene/L Supercomputer IBM J. Res. Dev. 2008, 52, 159-175
70. Perdew, J. P.; Zunger, A. Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems Phys. Rev. B 1981, 23, 5048-5079
71. Troullier, N.; Martins, J. L. Efficient Pseudopotentials for Plane-Wave Calculations Phys. Rev. B 1991, 43, 1993-2006
72. Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I.; et al. QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter. 2009, 21, 395502-1-395502-19
73. Vanderbilt, D. Soft Self-Consistent Potentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892-7895
74. Bachelet, G. B.; Hamann, D. R.; Schlüter, M. Pseudopotentials That Work: From H to Pu Phys. Rev. B 1982, 26, 4199-4228