Modeling direct exfoliation of nanoscale graphene platelets

Journal of Physical Chemistry C

Volumn 114, Issue 49, 2010, Pages 21083-21087

  Pupysheva, Olga V ^a   Farajian, Amir A ^a   Knick, Cory R ^a   Zhamu, Aruna ^b   Jang, Bor Z ^a,b  

^a Wright State University   (United States)

^b Angstron Materials Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGED SURFACTANTS; FORCE-FIELD APPROACHES; GRAPHITE PARTICLES; LIQUID PHASE; LOCKING MECHANISM; NANOSCALE GRAPHENE PLATELETS; RESTACKING; SODIUM DODECYLBENZENESULFONATE; ULTRA-SONICATION; VAN DER WAALS INTERACTIONS;

GRAPHENE; GRAPHITE; INTERCALATION; NANOSTRUCTURED MATERIALS; PLATELETS; SODIUM; VAN DER WAALS FORCES;

SURFACE ACTIVE AGENTS;

EID: 78650291818     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1071378     Document Type: Article

References (23)

1. Geim, A. K.; Novoselov, K. S. The Rise of Graphene Nat. Mater. 2007, 6, 183-191
2. Rao, C. N. R.; Sood, A. K.; Subrahmanyam, K. S.; Govindaraj, A. Graphene: The New Two-Dimensional Nanomaterial Angew. Chem., Int. Ed. 2009, 48, 7752-7777
3. Segal, M. Selling Graphene by the Ton Nat. Nanotechnol. 2009, 4, 612-614
4. Jang, B. Z.; Zhamu, A. Processing of Nanographene Platelets (NGPs) and NGP Nanocomposites: A Review J. Mater. Sci. 2008, 43, 5092-5101
5. Park, S.; Ruoff, R. S. Chemical Methods for the Production of Graphenes Nat. Nanotechnol. 2009, 4, 217-224
6. Choi, W.; Lahiri, I.; Seelaboyina, R.; Kang, Y. S. Synthesis of Graphene and Its Applications: A Review Crit. Rev. Solid State Mater. Sci. 2010, 35, 52-71
7. Coleman, J. N. Liquid-Phase Exfoliation of Nanotubes and Graphene Adv. Funct. Mater. 2009, 19, 3680-3695
8. Hernandez, Y.; Nicolosi, V.; Lotya, M.; Blighe, F. M.; Sun, Z.; De, S.; McGovern, I. T.; Holland, B.; Byrne, M.; Gun'ko, Y. K.; Boland, J. J.; Niraj, P.; Duesberg, P.; Krishnamurthy, S.; Goodhue, R.; Hutchison, J.; Scardaci, V.; Ferrari, A. C.; Coleman, J. N. High-Yield Production of Graphene by Liquid-Phase Exfoliation of Graphite Nat. Nanotechnol. 2008, 3, 563-568
9. Zhamu, A.; Shi, J.; Guo, J.; Jang, B. Z. Method of Producing Exfoliated Graphite, Flexible Graphite, and Nano-Scaled Graphene Plates. United States Patent Pending 11/800,728, May 28, 2007.
10. Lotya, M.; Hernandez, Y.; King, P. J.; Smith, R. J.; Nicolosi, V.; Karlsson, L. S.; Blighe, F. M.; De, S.; Wang, Z.; McGovern, I. T.; Duesberg, G. S.; Coleman, J. N. Liquid Phase Production of Graphene by Exfoliation of Graphite in Surfactant/Water Solutions J. Am. Chem. Soc. 2009, 131, 3611-3620
11. Steed, J. W.; Atwood, J. L. Supramolecular Chemistry, 2nd ed.; Wiley: Chichester, 2009.
12. 60-Doped Nanotubes J. Phys.: Condens. Matter 2001, 13, 8049-8059
13. 60 Phys. Rev. Lett. 1992, 68, 1551-1554
14. Venkateswaran, U. D.; Rao, A. M.; Richter, E.; Menon, M.; Rinzler, A.; Smalley, R. E.; Eklund, P. C. Probing the Single-Wall Carbon Nanotube Bundle: Raman Scattering under High Pressure Phys. Rev. B 1999, 59, 10928-10934
15. Henrard, L.; Hernández, E.; Bernier, P.; Rubio, A. Van der Waals Interaction in Nanotube Bundles: Consequences on Vibrational Modes Phys. Rev. B 1999, 60, R8521-R8524
16. Lu, J. P.; Yang, W. Shape of Large Single- and Multiple-Shell Fullerenes Phys. Rev. B 1994, 49, 11421-11424
17. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, revision A.02; Gaussian, Inc.: Wallingford, CT, 2009.
18. Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A., III; Skiff, W. M. UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations J. Am. Chem. Soc. 1992, 114, 10024-10035
19. Rappé, A. K.; Goddard, W. A., III. Charge Equilibration for Molecular Dynamics Simulations J. Phys. Chem. 1991, 95, 3358-3363
20. Tomasi, J.; Mennucci, B.; Cammi, R. Quantum Mechanical Continuum Solvation Models Chem. Rev. 2005, 105, 2999-3093
21. Scalmani, G.; Frisch, M. J. Continuous Surface Charge Polarizable Continuum Models of Solvation. I. General Formalism J. Chem. Phys. 2010, 132, 114110
22. York, D. M.; Karplus, M. A Smooth Solvation Potential Based on the Conductor-Like Screening Model J. Phys. Chem. 1999, 103, 11060-11079
23. Podeszwa, R. Interactions of Graphene Sheets Deduced from Properties of Polycyclic Aromatic Hydrocarbons J. Chem. Phys. 2010, 132 044704