Determination of binding energy and solubility parameters for functionalized gold nanoparticles by molecular dynamics simulation

Langmuir

Volumn 27, Issue 12, 2011, Pages 7836-7842

  Henz, Brian J ^a   Chung, Peter W ^a   Andzelm, Jan W ^a   Chantawansri, Tanya L ^a   Lenhart, Joseph L ^a   Beyer, Frederick L ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING DISTANCE; COMPUTATIONAL MODEL; FUNCTIONALIZED; GOLD NANOPARTICLES; HIGH-DENSITY; INTERPARTICLE BINDING; MOLECULAR DYNAMICS SIMULATIONS; NANOPARTICLE INTERACTION; POLYMER COMPOSITE; SOLUBILITY PARAMETERS; SURFACE COVERAGES; TERMINAL GROUPS;

CHEMICAL BONDS; ELECTRONEGATIVITY; FUNCTIONAL GROUPS; MOLECULAR DYNAMICS; NANOPARTICLES; POTENTIAL ENERGY; SOLUBILITY;

BINDING ENERGY;

EID: 79959283875     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la2005024     Document Type: Article

References (33)

1. Usuki, A.; Kojima, M.; Okada, A.; Fukushima, Y.; Kamigaito, O. J. Mater. Res. 1993, 8, 1179-1184
2. Kojma, Y.; Usuki, A.; Kawasumi, M.; Okada, A.; Fukushima, Y.; Kurauchi, T.; Kamigaito, O. J. Mater. Res. 1993, 8, 1185
3. Bockstaller, M. R.; Mickiewicz, R. A.; Thomas, E. L. Adv. Mater. 2005, 17 (11) 1331-1349
4. Balazs, A. C.; Emrick, T.; Russell, T. P. Science 2006, 314, 1107-1110
5. Bockstaller, M. R.; Thomas, E. L. Phys. Rev. Lett. 2004, 93 (16) 166106
6. Haryono, A.; Binder, W. H. Compos. Mater. 2006, 2 (5) 600-611
7. Alexandre, M.; Dubois, P. Mater. Sci. Eng. 2000, 28, 1-63
8. Soo, P. P.; Huang, B.; Jang, Y.-I.; Chiang, Y.-M.; Sadoway, D. R.; Mayes, A. M. J. Electrochem. Soc. 1999, 146 (1) 32-37
9. Hildebrand, J. H. The solubility of Non-Electrolytes; Reinhold: New York, 1936.
10. Landman, U.; Luedtke, W. D. Faraday Discuss. 2003, 125, 1-22
11. Greer, J. R.; Nix, W. D. Appl. Phys. A: Mater. Sci. Process. 2005, 80, 1625-1629
12. Cleveland, C. L.; Landman, U.; Schaaff, T. G.; Shafigullin, M. R.; Stephens, P. W.; Whetten, R. L. Phys. Rev. Lett. 1997, 79 (10) 1873-1876
13. Baskes, M. I. Phys. Rev. B 1997, 46 (5) 2727-2742
14. Daw, M. S.; Baskes, M. I. Phys. Rev. B 1984, 29 (12) 6443-6453
15. Lane, J. M. D.; Grest, G. S. Phys. Rev. Lett. 2010, 104, 235501
16. Shevade, A. V.; Zhou, J.; Zin, M. T.; Jiang, S. Langmuir 2001, 17, 7566-7572
17. Plimpton., S. J. J. Comput. Phys. 1995, 117, 1-19
18. Henz, B. J.; Hawa, T.; Zachariah, M. R. Langmuir 2008, 24, 773-783
19. Zhang, L.; Jiang., S. J. Chem. Phys. 2002, 117 (4) 1804-1811
20. Shevade, A. V.; Zhou, J.; Zin, M. T.; Jiang, S. Langmuir 2001, 17, 7566-7572
21. Jiang, S. Mol. Phys. 2002, 100 (14) 2261-2275
22. Luedtke, W. D.; Landman, U. J. Phys. Chem. 1996, 100 (32) 13323-13329
23. Jorgensen, W. L.; Madura, J. D.; Swenson, C. J. J. Am. Chem. Soc. 1984, 106, 6638-6646
24. Andersen, H. C. J. Comput. Phys. 1983, 52, 24-34
25. Jorgensen, W. L.; Briggs, J. M.; Leonor Contreras., M. J. Phys. Chem. 1990, 94, 1683-1686
26. Belmares, M.; Blanco, M.; Goddard, W. A., III; Ross, R. B.; Caldwell, G.; Chou, S.-H.; Pham, J.; Olofson, P. M.; Thomas., C. J. Comput. Chem. 2004, 25 (15) 1814-1826
27. Müller-Plathe, F. Macromolecules 1996, 29, 4782-4791
28. Schmid., G. Chem. Rev. 1992, 92, 1709-1727
29. Badia, A.; Cuccia, L.; Demers, L., L.; Morin, F.; Lennox., R. B. J. Am. Chem. Soc. 1997, 119, 2682-2692
30. Schreiber., F. J. Phys.: Condens. Matter 2004, 16, R881-R900
31. Grønbech-Jensen, N.; Parikh, A. N.; Beardmore, K. M.; Desai., R. C. Langmuir 2003, 19, 1474-1485
32. Whetten, R. L.; Shafigullin, M. N.; Khoury, J. T.; Schaaff, T. G.; Vezmar, I.; Alvarez, M. M.; Wilkinson, A. Acc. Chem. Res. 1999, 32, 397-406
33. de Podesta, M. Understanding the Properties of Matter, 2 nd ed.; Taylor & Francis: London, 2002.