Ab-initio adsorption study of chitosan on functionalized graphene: Critical role of van der waals interactions

Journal of Nanoscience and Nanotechnology

Volumn 12, Issue 3, 2012, Pages 2360-2366

  Rahman, R ^a   Mazumdar, D ^b  

^a Box 870280   (United States)

^b University of Alabama   (United States)

Author keywords

Biomolecule sensing; Density functional theory; Drug delivery; Graphene

Indexed keywords

AB INITIO; ADSORPTION PROCESS; ADSORPTION STUDIES; BIOMOLECULE SENSING; COHESIVE ENERGIES; DENSITY-FUNCTIONAL METHODS; DISPERSIVE INTERACTIONS; FUNCTIONALIZED; HYDROGEN-BOND INTERACTIONS; HYDROXYL GROUPS; LONDON DISPERSION FORCES; VAN DER WAALS INTERACTIONS;

BINDING ENERGY; BIOMOLECULES; CHITOSAN; DENSITY FUNCTIONAL THEORY; DRUG DELIVERY; MOLECULES; PHYSISORPTION; VAN DER WAALS FORCES;

GRAPHENE;

EID: 84862992550     PISSN: 15334880     EISSN: 15334899     Source Type: Journal    
DOI: 10.1166/jnn.2012.5798     Document Type: Article

References (29)

1. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Science 306, 666 (2004).
2. A. K. Geim and K. S. Novoselov, Nat. Mater. 6, 183 (2007).
3. M. Y. Han, B. Ozyilmaz, Y. Zhang, and P. Kim, Phys. Rev. Lett. 98, 206805 (2007).
4. Y. Zhang, T.-T. Tang, C. Girit, Z. Hao, M. C. Martin, A. Zettl, M. F. Crommie, Y. R. Shen, and F. Wang, Nature 459, 820 (2009).
5. C. Lee, X. D.Wei, J.W. Kysar, and J. Hone, Science 321, 385 (2008).
6. S. Park and R. S. Ruoff, Nat. Nanotechnology 4, 217 (2009).
7. S. Stankovich, D. A. Dikin, G. H. B. Dommett, K. M. Kohlhaas, E. J. Zimney, E. A. Stach, R. D. Piner, S. T. Nguyen, and R. S. Ruoff, Nature 442, 282 (2006).
8. X. Yang, Y. Tu, L. Li, S. Shang, and X. Tao, ACS Applied Materials and Interfaces 2, 1707 (2010).
9. M. Xu, D. Fujita, and N. Hanagata, Small 5, 2638 (2009).
10. N. Mohanty and V. Berry, NanoLetters 8, 4469 (2008).
11. T. O. Wehling, K. S. Novoselov, S. V. Morozov, E. E. Vdovin, M. I. Katsnelson, A. K. Geim, and A. I. Lichtenstein, NanoLetters 8, 173 (2008).
12. G. Lee, B. Lee, J. Kim, and K. Cho, J. Phys. Chem. C 113, 14225 (2009).
13. O. U. Akturk and M. Tomak, Appl. Phys. Lett. 96, 81914 (2010).
14. E. Akturk, C. Ataca, and S. Ciraci, Appl. Phys. Lett. 96, 123112 (2010).
15. J. E. Lennard-Jones, Proc. R. Soc. Lond. A 106, 463 (1924).
16. M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 95 109902E (2005).
17. P. M. Kumar, React, Funct. Polym. 46, 1 (2000).
18. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
19. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
20. P. Lazic, N. Atodiresei, M. Alaei, V. Caciuc, S. Blugel, and R. Brako, Computer Physics Communications 181, 371 (2010).
21. D. C. Langreth, M. Dion, H. Rydberg, E. Schroder, P. Hyldgaard, and B. I. Lundqvist, International Journal of Quantum Chemistry 101, 599 (2005).
22. T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth, Phys. Rev. B 76, 125112 (2007).
23. X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001).
24. J.-A. Yan and M. Y. Chou, Phys. Rev. B 82, 125403 (2010);
25. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
26. E. E. Dahlke and D. G. Truhlar, J. Phys. Chem. B 109, 15677 (2005).
27. B. Santra, A. Michaelides, and M. Scheffler, J. Chem. Phys. 127, 184104 (2007).
28. J. Ireta, J. Neugebauer, and M. Scheffler, J. Phys. Chem. A 108, 5692 (2004).
29. A. D. Becke and K. E. Edgecombe, Angew. Chem. Int. Ed. Engl. 36, 2077 (1997).