Density functional theory study of catechol adhesion on silica surfaces

Journal of Physical Chemistry C

Volumn 114, Issue 48, 2010, Pages 20793-20800

  Mian, Shabeer A ^a   Saha, Leton C ^a   Jang, Joonkyung ^a   Wang, Lu ^b   Gao, Xingfa ^b   Nagase, Shigeru ^b  

^a Pusan National University   (South Korea)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS SILICA; CRISTOBALITES; DIHYDROXYBENZENES; DISPERSION INTERACTION; HYDROXYLATED SURFACES; MARINE MUSSELS; OVER WATER; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; PHENYLENE RINGS; PREFERENTIAL ADSORPTION; SILICA SURFACE; WET SURFACES;

ADHESION; ADSORPTION; DENSITY FUNCTIONAL THEORY; DISPERSIONS; HYDROGEN; HYDROGEN BONDS; NUCLEAR ENERGY; PHENOLS; POTENTIAL ENERGY; SILICA; SILICATE MINERALS;

BINDING ENERGY;

EID: 78650093291     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1070538     Document Type: Article

References (59)

1. Lee, H.; Lee, B. P.; Messersmith, P. B. Nature 2007, 448, 338.
2. Waite, J. H. Int. J. Adhes. Adhes. 1987, 7, 9 .
3. Ninan, L.; Monahan, J.; Stroshine, R. L.; Wilker, J. J.; Shi, R. Biomaterials 2003, 24, 4091.
4. Weinhold, M.; Soubatch, S.; Temirov, R.; Rohlfing, M.; Jastorff, B.; Tautz, F. S.; Doose, C. J. Phys. Chem. B 2006, 110, 23756.
5. Yu, M.; Hwang, J.; Deming, T. J. J. Am. Chem. Soc. 1999, 121, 5825.
6. Westwood, G.; Horton, T. N.; Wilker, J. J. Macromolecules 2007, 40, 3960.
7. Burzio, L. A.; Waite, J. H. Biochemistry 2000, 39, 11147.
8. Young, G. A.; Crisp, D. J. In Adhesion; Allen, K. W., Ed.; Applied Science: London, 1982; p 19.
9. Yu, M.; Deming, T. J. Macromolecules 1998, 31, 4739.
10. Lee, H.; Scherer, N. R; Messersmith, P. B. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 12999.
11. Rego, L. G. C.; Batista, V. S. J. Am. Chem. Soc. 2003, 125, 7989.
12. Vega-Arroyo, M.; LeBreton, P. R.; Rajh, T.; Zapol, P.; Curtiss, L. A. Chem. Phys. Lett. 2005, 406, 306.
13. Duncan, W. R.; Prezhdo, O. V. J. Phys. Chem. B 2004, 109, 365.
14. Redfern, P. C.; Zapol, P.; Curtiss, L. A.; Rajh, T.; Thurnauer, M. C. J. Phys. Chem. B 2003, 107, 11419.
15. Ceresoli, D.; Bernasconi, M.; Iarlori, S.; Parrinello, M.; Tosatti, E. Phys. Rev. Lett. 2000, 84, 3887.
16. Iarlori, S.; Ceresoli, D.; Bernasconi, M.; Donadio, D.; Parrinello, M. J. Phys. Chem. B 2001, 105, 8007.
17. Yang, J.; Meng, S.; Xu, L. F.; Wang, E. G. Phys. Rev. Lett. 2004, 92, 146102.
18. Civalleri, B.; Ugliengo, P. J. Phys. Chem. B 2000, 104, 9491.
19. Zhuravlev, L. T. Langmuir 1987, 3, 316.
20. Montero-Cabrera, L. A.; Perez-Badell, Y.; Mora-Fonz, M. J. J. Phys. Chem. A 2008, 112, 2880.
21. Civalleri, B.; Garrone, E.; Ugliengo, P. Langmuir 1999, 15, 5829.
22. Walsh, T. R.; Wilson, M.; Sutton, A. P. J. Chem. Phys. 2000, 113, 9191.
23. Yang, J.; Wang, E. G. Phys. Rev. B 2006, 73, 035406.
24. Pedone, A.; Malavasi, G.; Menziani, M. C.; Segre, U.; Musso, F.; Corno, M.; Civalleri, B.; Ugliengo, P. Chem. Mater. 2008, 20, 2522.
25. Tielens, F.; Gervais, C.; Lambert, J. F. O.; Mauri, F.; Costa, D. Chem. Mater. 2008, 20, 3336.
26. Soler, J. M.; Artacho, E.; Gale, J.; Garcia, A.; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745.
27. Hammer, B.; Hansen, L. B.; Nørskov, J. K. Phys. Rev. B 1999, 59, 7413.
28. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993.
29. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
30. Hestenes, M. R.; Stiefel, E. J. Res. Nat. Bur. Stand. 1952, 49.
31. Pluth, J. J.; Smith, J. V.; Faber, J. J. J. Appl. Phys. 1985, 57, 1045.
32. Xantheas, S. S. J. Chem. Phys. 1996, 104, 8821.
33. van Duijneveldt, F. B.; van Duijneveldt-van de Rijdt, J. G. C. M.; van Lenthe, J. H. Chem. Rev. 1994, 94, 1873.
34. Grimme, S. J. Comput. Chem. 2006, 27, 1787.
35. Smith, W.; Yong, C. W.; Rodger, P. M. Mol. Simul. 2002, 28, 385.
36. Wright, A. F.; Leadbetter, A. J. Philos. Mag. 1975, 31.
37. Gerhards, M.; Perl, W.; Schumm, S.; Henrichs, U.; Jacoby, C.; Kleinermanns, K. J. Chem. Phys. 1996, 104, 9362.
38. Anglada, E.; M. Soler, J.; Junquera, J.; Artacho, E. Phys. Rev. B 2002, 66, 205101.
39. Du, M.-H.; Kolchin, A.; Cheng, H.-P. J. Chem. Phys. 2004, 120, 1044.
40. Legrand, A. P. The Surface Properties of Silicas; Wiley: New York, 1998.
41. Kinloch, A. J. J. Mater. Sci. 1980, 15, 2141.
42. Pelmenschikov, A. G.; Morosi, G.; Gamba, A. J. Phys. Chem. A 1997, 101, 1178.
43. Bakaev, V. A.; Steele, W. A. J. Chem. Phys. 1999, 111, 9803.
44. Bolis, V.; Fubini, B.; Marchese, L.; Martra, G.; Costat, D. J. Chem. Soc., Faraday Trans. 1991, 87, 497.
45. Civalleri, B.; Garrone, E.; Ugliengo, P. Chem. Phys. Lett. 1999, 299, 443.
46. Rimola, A.; Sodupe, M.; Tosoni, S.; Civalleri, B.; Ugliengo, P. Langmuir 2006, 22, 6593.
47. Hobbs, C.; Kantorovich, L.; Gale, J. D. Surf. Sci. 2005, 591, 45.
48. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169.
49. Zhao, Y.; Truhlar, D. G. Theo. Chem. Acc. 2008, 120, 215.
50. van der Wijst, T.; Guerra, C. F.; Swart, M.; Bickelhaupt, F. M. Chem. Phys. Lett. 2006, 426, 415.
51. Rimola, A.; Civalleri, B.; Uglieno, P. Phys. Chem. Chem. Phys. 2010, 12, 6357.
52. Civalleri, B.; Zicovich-Wilson, C. M.; Valenzano, L.; Ugliengo, P. Cryst. Eng. Comm. 2008, 10, 405.
53. Jurecka, P.; Cerny, J.; Hobza, P.; Salahub, D. J. Comput. Chem. 2007, 28, 555.
54. Stern, D. A.; Salaita, G. N.; Lu, F.; McCargar, J. W.; Batina, N.; Frank, D. G.; Laguren-Davidson, L.; Lin, C. H.; Walton, N. Langmuir 1988, 4, 711.
55. Sinnokro, M. O.; Sherrill, C. D. J. Phys. A 2004, 108, 10200.
56. Car, R.; Parrinello, M. Phys. Rev. Lett. 1985, 55, 2471.
57. Rimola, A.; Corno, M.; Zicovich-Wilson, C. M.; Ugliengo, P. Phys. Chem. Chem. Phys. 2009, 11, 9005.
58. Zeng, H.; Hwang, D. S.; Israelachvili, J. N.; Waite, J. H. Proc. Nat. Acad. Sci. 2010, 107, 12850.
59. Berglin, M.; Hedlund, J.; Fant, C.; Elwing, H. J. Adhes. Sci. 2005, 81, 805.