Mechanical properties of graphene nanobuds: A molecular dynamics study

Current Nanoscience

Volumn 8, Issue 1, 2012, Pages 89-96

  Zheng, Yongping ^a   Xu, Lanqing ^a,b   Fan, Zheyong ^b   Wei, Ning ^b   Lu, Yu ^a   Huang, Zhigao ^a  

^a FUJIAN NORMAL UNIVERSITY   (China)

^b XIAMEN UNIVERSITY   (China)

Author keywords

Fracture; Fullerene; Graphene; Mechanical properties; Molecular dynamics simulation; Nanostructure

Indexed keywords

CARBON; ELASTIC MODULI; FRACTURE; FULLERENES; GRAPHENE; HYBRID MATERIALS; MECHANICAL PROPERTIES; NANOSTRUCTURES; TENSILE STRENGTH; YARN;

BOTTOM-UP STRATEGY; BUILDING BLOCKES; HYBRID NANOSTRUCTURES; LARGE-SCALE APPLICATIONS; LOW-DIMENSIONAL MATERIALS; MOLECULAR DYNAMICS SIMULATIONS; NANO-SCALE GEOMETRIES; POSITION SENSING;

MOLECULAR DYNAMICS;

FULLERENE; GRAPHENE; GRAPHENE NANOBUD; NANOMATERIAL; UNCLASSIFIED DRUG;

ARTICLE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION;

EID: 84863244113     PISSN: 15734137     EISSN: 18756786     Source Type: Journal    
DOI: 10.2174/1573413711208010089     Document Type: Article

References (50)

1. Heer, W. A. D.; Châtelain, A.; Ugarte, D. A Carbon nanotube field-emission electron source. Science 1995, 270(5239), 1179-1180.
2. Zandonella, C. Is it all just a pipe dream? Nature 2001, 410(6830), 734-735.
3. Liew, K. M.; He, X. Q.; Wong, C. H. On the study of elastic and plastic properties of multi-walled carbon nanotubes under axial tension using molecular dynamics simulation. Acta Mater. 2004, 52(9), 2521-2527.
4. Birkett, P. R. Fullerenes. Ann. Rep. Sect. A 2006, 102, 420-448.
5. Pushparaj, V. L.; Shaijumon, M. M.; Kumar, A.; Murugesan, S.; Ci, L.; Vajtai, R.; Linhardt, R. J.; Nalamasu, O.; Ajayan, P. M. Flexible energy storage devices based on nanocomposite paper. Proc. Natl. Acad. Sci. 2007, 104(34), 13574-13577.
6. Sasaki, N.; Itamura, N.; Tsuda, D.; Miura, K. Nanomechanical studies of superlubricity. Curr. Nanosci. 2007, 3, 105-115.
7. Kim, S. N.; Rusling, J. F.; Papadimitrakopoulos, F. Carbon nanotubes for electronic and electrochemical detection of biomolecules. Adv. Mater. 2007, 19(20), 3214-3228.
8. Feng, M.; Zhao, J.; Petek, H. Atomlike, Hollow-Core-Bound Molecular Orbitals of C60. Science 2008, 320(5874), 359-362.
9. Xu, Z.P.; Markus, J. B. Hierarchical graphene nanoribbon assemblies feature unique electronic and mechanical properties. Nanotechnology 2009, 20(37), 375704.
10. Dutta, S.; Pati, S. K. Novel properties of graphene nanoribbons: a review. J. Mater. Chem. 2010, 20(38), 8207-8223.
11. Zheng, Y. P.; Wei, N.; Fan, Z. Y.; Xu, L. Q.; Huang, Z. G. Mechanical properties of grafold: a demonstration of strengthened graphene. Nanotech- nology 2011, 22, 405701.
12. Ruiz-Vargas, C. S.; Zhuang, H. L.; Huang, P. Y.; van der Zande, A. M.; Garg, S.; McEuen, P. L.; Muller, D. A.; Hennig, R. G.; Park, J. Softened elastic response and unzipping in chemical vapor deposition grapheme membranes. Nano Lett. 2011, 11(6), 2259-2263.
13. Son, Y.-W.; Cohen, M. L.; Louie, S. G. Energy gaps in grapheme nanoribbons. Phys. Rev. Lett. 2006, 97(21), 216803.
14. Geim, A. K.; Novoselov, K. S. The rise of graphene. Nat. Mater. 2007, 6(3), 183-191.
15. Chen, C.; Rosenblatt, S.; Bolotin, K. I.; Kalb, W.; Kim, P.; Kymissis, I.; Stormer, H. L.; Heinz, T. F.; Hone, J. Performance of monolayer grapheme nanomechanical resonators with electrical readout. Nat. Nano 2009, 4(12), 861-867.
16. Wei, N.; Xu, L.; Wang, H.-Q.; Zheng, J.-C. Strain engineering of thermal conductivity in graphene sheets and nanoribbons: a demonstration of magic flexibility. Nanotechnology 2011, 22(10), 105705.
17. Jia, X.; Campos-Delgado, J.; Terrones, M.; Meunier, V.; Dresselhaus, M. S. Graphene edges: a review of their fabrication and characterization. Nanoscale 2011, 3(1), 86-95.
18. Dimitrakakis, G. K.; Tylianakis, E.; Froudakis, G. E. Pillared Graphene: A New 3-D network nanostructure for enhanced hydrogen storage. Nano Lett. 2008, 8(10), 3166-3170.
19. Li, Y.-F.; Li, B.-R.; Zhang, H.-L. The computational design of junctions between carbon nanotubes and graphene nanoribbons. Nanotechnology 2009, 20(22), 225202.
20. Byrne, E. M.; McCarthy, M. A.; Xia, Z.; Curtin, W.A. Multiwall nanotubes can be stronger than single wall nanotubes and implications for nanocomposite design. Phys. Rev. Lett. 2009, 103(4), 045502.
21. Alaghemandi, M.; Leroy, F.; Müller-Plathe, F.; Böhm, M. C. Thermal rectification in nanosized model systems: A molecular dynamics approach. Phys. Rev. B 2010, 81(12), 125410.
22. Zaeri, M. M.; Ziaei-Rad, S.; Vahedi, A.; Karimzadeh, F. Mechanical modelling of carbon nanomaterials from nanotubes to buckypaper. Carbon 2010, 48(13), 3916-3930.
23. Verberck, B.; Cambedouzou, J.; Vliegenthart, G. A.; Gompper, G.; Launois, P. A Monte Carlo study of C70 molecular motion in C70@SWCNT peapods. Carbon 2011, 49(6), 2007-2021.
24. Novoselov, K. S.; Jiang, Z.; Zhang, Y.; Morozov, S. V.; Stormer, H. L.; Zeitler, U.; Maan, J. C.; Boebinger, G. S.; Kim, P.; Geim, A. K. Room- temperature quantum hall effect in graphene. Science 2007, 315(5817), 1379.
25. Nasibulin, A. G.; Anisimov, A. S.; Pikhitsa, P. V.; Jiang, H.; Brown, D. P.; Choi, M.; Kauppinen, E. I. Investigations of NanoBud formation. Chem. Phys. Lett. 2007, 446(1-3), 109-114.
26. Parga, A. L. V. D.; Calleja, F.; Borca, B.; Passeggi, M. C. G.; Hinarejos, J. J.; Guinea, F.; Miranda, R. Periodically Rippled Graphene: Growth and Spatially Resolved Electronic Structure. Phys. Rev. Lett. 2008, 100(5), 056807.
27. Wu, X.; Zeng, X. C. Periodic graphene nanobuds. Nano Lett. 2008, 9(1), 250-256.
28. Van Lier, G.; Van Alsenoy, C.; Van Doren, V.; Geerlings, P. Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene. Chem. Phys. Lett. 2000, 326(1-2), 181-185.
29. Liu, F.; Ming, P.; Li, J. Ab initio calculation of ideal strength and phonon instability of graphene under tension. Phys. Rev. B 2007, 76(6), 064120.
30. Frank, I. W.; Tanenbaum, D. M.; van der Zande, A. M.; McEuen, P. L. Mechanical properties of suspended graphene sheets. J. Vacuum Sci. Technol. B: Microelectron. Nanometer Struct. 2007, 25, 2558-2561.
31. Lee, C.; Wei, X.; Kysar, J. W.; Hone, J. Measurement of the elastic properties and intrinsic strength of monolayer graphene. Science 2008, 321(5887), 385-388.
32. Jiang, J.-W.; Wang, J.-S.; Li, B. Young's modulus of graphene: A molecular dynamics study. Phys. Rev. B 2009, 80(11), 113405.
33. Pei, Q.-X.; Zhang, Y.-W.; Shenoy, V. B. Mechanical properties of methyl functionalized graphene: a molecular dynamics study. Nanotechnology 2010, 21(11), 115709.
34. Terdalkar, S. S.; Huang, S.; Yuan, H.; Rencis, J. J.; Zhu, T.; Zhang, S. Nanoscale fracture in graphene. Chem. Phys. Lett. 2010, 494(4-6), 218-222.
35. Cui, X.; Zhang, C.; Hao, R.; Hou, Y. Liquid-phase exfoliation, functionalization and applications of graphene. Nanoscale 2011, 3(5), 2118- 2126.
36. Wei, D.; Liu, Y. The intramolecular junctions of carbon nanotubes. Adv. Mater. 2008, 20(15), 2815-2841.
37. Gonzalez Noya, E.; Srivastava, D.; Menon, M. Heat-pulse rectification in carbon nanotube Y junctions. Phys. Rev. B 2009, 79(11), 115432.
38. Lusk, M. T.; Carr, L. D. Nanoengineering defect structures on graphene. Phys. Rev. Lett. 2008, 100(17), 175503.
39. Plimpton, S. Fast Parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 1995, 117(1), 1-19.
40. Hoover, W. G. Canonical dynamics: Equilibrium phase-space distributions. Phys. Rev. A 1985, 31(3), 1695.
41. Polak, E. Optimization:algorithms and consistent approximations. Springer: New York, 1997.
42. Zhao, H.; Min, K.; Aluru, N. R. Size and chirality dependent elastic properties of graphene nanoribbons under uniaxial tension. Nano Lett. 2009, 9(8), 3012-3015.
43. Brenner, D. W.; Shenderova, O. A.; Harrison, J. A.; Stuart, S. J.; Ni, B.; Sinnott, S. B. A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons. J. Phys.: Condens. Matter 2002, 14(4), 783.
44. Shenderova, O. A.; Brenner, D. W.; Omeltchenko, A.; Su, X.; Yang, L. H. Atomistic modeling of the fracture of polycrystalline diamond. Phys. Rev. B 2000, 61(6), 3877.
45. Chandra, N.; Namilae, S.; Shet, C. Local elastic properties of carbon nanotubes in the presence of Stone-Wales defects. Phys. Rev. B 2004, 69(9), 094101.
46. Pei, Q. X.; Zhang, Y. W.; Shenoy, V. B. A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene. Carbon 2010, 48(3), 898-904.
47. Geng, Y.; Li, J.; Wang, S. J.; Kim, J. K. Amino Functionalization of graphite nanoplatelet. J. Nanosci. Nanotechnol. 2008, 8, 6238-6246.
48. Telling, R. H.; Pickard, C. J.; Payne, M. C.; Field, J. E. Theoretical strength and cleavage of diamond. Phys. Rev. Lett. 2000, 84(22), 5160.
49. Weisberg, S. Applied Linear Regression. 2nd ed.; John Wiley & Son, Inc.: New Jersey, 2005.
50. Grantab, R.; Shenoy, V. B.; Ruoff, R. S. Anomalous strength characteristics of tilt grain boundaries in graphene. Science 2010, 330(6006), 946-948.