Understanding interactions between capped nanocrystals: Three-body and chain packing effects

Journal of Chemical Physics

Volumn 131, Issue 12, 2009, Pages

  Schapotschnikow, Philipp ^a   Vlugt, Thijs J H ^a  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

BODY EFFECT; CAPPING LAYER; CAPPING MOLECULES; CHAIN PACKING; CLOSE PACKING; CORE DIAMETERS; DIFFERENT SIZES; DODECANETHIOLS; EQUILIBRIUM DISTANCES; ETHANETHIOL; EXPERIMENTAL OBSERVATION; HIGH QUALITY; IN-LINE; IN-VACUUM; LIGAND MOLECULES; LOW CONCENTRATIONS; MOLECULAR SIMULATIONS; PAIR INTERACTIONS; POTENTIAL OF MEAN FORCE; SELF-ASSEMBLE; SELF-ASSEMBLED; THREE-BODY INTERACTION; THREE-DIMENSIONAL STRUCTURE; TOTAL ENERGY; VAN DER WAALS INTERACTIONS;

BUBBLES (IN FLUIDS); MONOLAYERS; NANOCRYSTALS; THERMODYNAMIC STABILITY; VAN DER WAALS FORCES;

LIGANDS;

NANOMATERIAL;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; MECHANICAL STRESS; PARTICLE SIZE; ULTRASTRUCTURE;

BINDING SITES; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; PARTICLE SIZE; STRESS, MECHANICAL;

EID: 70349627759     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3227043     Document Type: Article

References (64)

1. S. Kinge, M. Crego-Calama, and D. N. Reinhoudt, ChemPhysChem 1439-4235 9, 20 (2008). 10.1002/cphc.200700475
2. R. P. Andres, J. D. Bielefeld, J. I. Henderson, D. B. Janes, V. R. Kolagunta, C. P. Kubiak, W. J. Mahoney, and R. G. Osifchin, Science 0036-8075 273, 1690 (1996). 10.1126/science.273.5282.1690
3. J. R. Heath, C. M. Knobler, and D. V. Leff, J. Phys. Chem. B 1089-5647 101, 189 (1997). 10.1021/jp9611582
4. C. J. Kiely, J. Fink, M. Brust, D. Bethel, and D. J. Schiffrin, Nature (London) 0028-0836 396, 444 (1998). 10.1038/24808 (Pubitemid 28553309)
5. R. L. Whetten, M. N. Shafigullin, J. T. Khoury, T. G. Schaaff, I. Vezmar, M. M. Alvarez, and A. Wilkinson, Acc. Chem. Res. 0001-4842 32, 397 (1999). 10.1021/ar970239t
6. M. Brust, D. Bethell, D. J. Schiffrin, and R. Whyman, J. Chem. Soc., Chem. Commun. 0022-4936 1994, 801. 10.1039/c39940000801
7. U. Landman and W. D. Luedtke, Faraday Discuss. 0301-7249 125, 1 (2004). 10.1039/b312640b
8. E. Shevchenko, D. Talapin, N. Kotov, S. O'Brien, and C. Murray, Nature (London) 0028-0836 439, 55 (2006). 10.1038/nature04414 (Pubitemid 43053626)
9. Z. Chen and S. O'Brien, ACS Nano 1936-0851 2, 1219 (2008). 10.1021/nn800129s
10. K. E. Mueggenburg, X. -M. Lin, R. H. Goldsmith, and H. M. Jaeger, Nature Mater. 1476-1122 6, 656 (2007). 10.1038/nmat1965 (Pubitemid 47359548)
11. W. D. Luedtke and U. Landman, J. Phys. Chem. 0022-3654 100, 13323 (1996). 10.1021/jp961721g
12. K. Tay and F. Bresme, Mol. Simul. 0892-7022 31, 515 (2005). 10.1080/08927020500035879 (Pubitemid 40971868)
13. P. Atkins and J. de Paula, Physical Chemistry, 8th ed. (Oxford University Press, New York, 2006).
14. D. Chandler, Introduction to Modern Statistical Mechanics, 1st ed. (Oxford University Press, New York, 1987).
15. D. Frenkel and B. Smit, Understanding Molecular Simulations, 2nd ed. (Academic, San Diego, USA, 2002).
16. P. Schapotschnikow, B. Hommersom, and T. J. H. Vlugt, J. Phys. Chem. C 1932-7447 113, 12690 (2009). 10.1021/jp903291d
17. J. Hautman and M. Klein, J. Chem. Phys. 0021-9606 91, 4994 (1989). 10.1063/1.457621
18. P. Schapotschnikow, R. Pool, and T. J. H. Vlugt, Comput. Phys. Commun. 0010-4655 177, 154 (2007). 10.1016/j.cpc.2007.02.028 (Pubitemid 46935634)
19. R. Pool, P. Schapotschnikow, and T. J. H. Vlugt, J. Phys. Chem. C 1932-7447 111, 10201 (2007). 10.1021/jp071491d (Pubitemid 47184427)
20. W. D. Luedtke and U. Landman, J. Phys. Chem. B 1089-5647 102, 6566 (1998). 10.1021/jp981745i
21. M. Lal, M. Plummer, N. J. Richmond, and W. Smith, J. Phys. Chem. B 1089-5647 108, 6052 (2004). 10.1021/jp036776e
22. N. Patel and S. A. Egorov, J. Chem. Phys. 0021-9606 126, 054706 (2007). 10.1063/1.2434155 (Pubitemid 46246009)
23. P. Schapotschnikow, R. Pool, and T. J. H. Vlugt, Nano Lett. 1530-6984 8, 2930 (2008). 10.1021/nl8017862
24. T. J. H. Vlugt, R. Krishna, and B. Smit, J. Phys. Chem. B 1089-5647 103, 1102 (1999). 10.1021/jp982736c
25. D. Dubbeldam, S. Calero, T. J. H. Vlugt, R. Krishna, T. L. M. Maesen, and B. Smit, J. Phys. Chem. B 1089-5647 108, 12301 (2004). 10.1021/jp0376727
26. Y. Wang, S. Teitel, and C. Dellago, Chem. Phys. Lett. 0009-2614 394, 257 (2004). 10.1016/j.cplett.2004.06.139
27. H. C. Hamaker, Physica 4, 1058 (1937).
28. T. Ederth, Langmuir 0743-7463 17, 3329 (2001). 10.1021/la001607w (Pubitemid 35330443)
29. H. -Y. Kim, J. O. Sofo, D. Velegol, M. W. Cole, and A. A. Lucas, Langmuir 0743-7463 23, 1735 (2007). 10.1021/la061802w (Pubitemid 46406119)
30. G. Ciccotti, M. Ferrario, J. T. Hynes, and R. Kapral, Chem. Phys. 0301-0104 129, 241 (1989). 10.1016/0301-0104(89)80010-2
31. E. Gùrdia, R. Rey, and J. A. Padró, Chem. Phys. 0301-0104 155, 187 (1991). 10.1016/0301-0104(91)87019-R
32. M. G. Wolf, J. A. Jongejan, J. D. Laman, and S. W. de Leeuw, J. Am. Chem. Soc. 0002-7863 130, 15772 (2008). 10.1021/ja806606y
33. M. G. Wolf, J. A. Jongejan, J. D. Laman, and S. W. de Leeuw, J. Phys. Chem. B 1089-5647 112, 13493 (2008). 10.1021/jp804285e
34. J. Vreede, M. G. Wolf, S. W. de Leeuw, and P. G. Bolhuis, J. Phys. Chem. B 1089-5647 113, 6484 (2009). 10.1021/jp809641j
35. C. Jarzynski, Phys. Rev. Lett. 0031-9007 78, 2690 (1997). 10.1103/PhysRevLett.78.2690
36. C. Jarzynski, Phys. Rev. E 1063-651X 56, 5018 (1997). 10.1103/PhysRevE.56.5018
37. S. Park, F. Khalili-Araghi, E. Tajkhorshid, and K. Schulten, J. Chem. Phys. 0021-9606 119, 3559 (2003). 10.1063/1.1590311
38. S. Park and K. Schulten, J. Chem. Phys. 0021-9606 120, 5946 (2004). 10.1063/1.1651473
39. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 0021-9606 21, 1087 (1953). 10.1063/1.1699114
40. J. Barker and R. Watts, Chem. Phys. Lett. 0009-2614 3, 144 (1969). 10.1016/0009-2614(69)80119-3
41. J. I. Siepmann and D. Frenkel, Mol. Phys. 0026-8976 75, 59 (1992). 10.1080/00268979200100061
42. D. Frenkel, G. C. A. M. Mooij, and B. Smit, J. Phys.: Condens. Matter 0953-8984 4, 3053 (1992). 10.1088/0953-8984/4/12/006
43. J. J. de Pablo, M. Laso, and U. W. Suter, J. Chem. Phys. 0021-9606 96, 6157 (1992). 10.1063/1.462658
44. J. I. Siepmann, in Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, edited by, W. Van Gunsteren, P. Weiner, and, A. Wilkinson, (Escom, Leiden, 1993).
45. W. C. Swope, H. C. Andersen, P. H. Berens, and K. R. Wilson, J. Chem. Phys. 0021-9606 76, 637 (1982). 10.1063/1.442716
46. H. C. Andersen, J. Comput. Phys. 0021-9991 52, 24 (1983). 10.1016/0021-9991(83)90014-1
47. J. -P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 0021-9991 23, 327 (1977). 10.1016/0021-9991(77)90098-5
48. T. Miller, M. Eleftheriou, P. Pattnaik, A. Ndrigano, D. Newns, and G. Martyna, J. Chem. Phys. 0021-9606 116, 8649 (2002). 10.1063/1.1473654 (Pubitemid 34631413)
49. H. C. Andersen, J. Chem. Phys. 0021-9606 72, 2384 (1980). 10.1063/1.439486
50. C. von Ferber, A. Jusufi, C. Likos, H. Löwen, and M. Watzlawek, Eur. Phys. J. E 1292-8941 2, 311 (2000). 10.1007/s101890050013
51. J. Dobnikar, M. Brunner, H. H. von Grünberg, and C. Bechinger, Phys. Rev. E 1063-651X 69, 031402 (2004). 10.1103/PhysRevE.69.031402
52. C. Russ, H. H. von Grünberg, M. Dijkstra, and R. van Roij, Phys. Rev. E 1063-651X 66, 011402 (2002). 10.1103/PhysRevE.66.011402 (Pubitemid 40598976)
53. T. Terao, Mol. Phys. 0026-8976 104, 2507 (2006). 10.1080/ 00268970600796842 (Pubitemid 44155004)
54. D. Kofke and E. Glandt, Mol. Phys. 0026-8976 64, 1105 (1988). 10.1080/00268978800100743
55. M. J. Hostetler, J. E. Wingate, C. Zhong, J. E. Harris, R. W. Vachet, M. R. Clark, J. D. Londono, S. J. Green, J. J. Stokes, G. D. Wignall, G. L. Glish, M. D. Porter, N. D. Evans, and R. W. Murray, Langmuir 0743-7463 14, 17 (1998). 10.1021/la970588w
56. B. A. Korgel and D. J. Fitzmaurice, Phys. Rev. Lett. 0031-9007 80, 3531 (1998). 10.1103/PhysRevLett.80.3531
57. B. A. Korgel, N. Zaccheroni, and D. Fitzmaurice, J. Am. Chem. Soc. 0002-7863 121, 3533 (1999). 10.1021/ja9826035 (Pubitemid 29190924)
58. X. M. Lin, H. M. Jaeger, C. M. Sorensen, and K. J. Klabunde, J. Phys. Chem. B 1089-5647 105, 3353 (2001). 10.1021/jp0102062 (Pubitemid 35372705)
59. M. B. Sigman, Jr., A. E. Saunders, and B. A. Korgel, Langmuir 0743-7463 20, 978 (2004). 10.1021/la035405m
60. S. Huang, K. Minami, H. Sakaue, S. Shingubara, and T. Takahagi, Langmuir 0743-7463 20, 2274 (2004). 10.1021/la0302293
61. A. V. Ellis, J. D'Arcy-Gall, K. Vijayamohanan, R. Goswami, P. G. Ganesan, C. Ryu, and G. Ramanath, Thermochim. Acta 0040-6031 426, 207 (2005). 10.1016/j.tca.2004.08.009 (Pubitemid 40127414)
62. A. -I. Henry, A. Courty, M. -P. Pileni, P. -A. Albouy, and J. Israelachvili, Nano Lett. 1530-6984 8, 2000 (2008). 10.1021/nl8010947
63. J. E. Martin, J. P. Wilcoxon, J. Odinek, and P. Provencio, J. Phys. Chem. B 1089-5647 104, 9475 (2000). 10.1021/jp001292t (Pubitemid 30959364)
64. M. P. Pileni, J. Phys. Chem. B 1089-5647 105, 3358 (2001). 10.1021/jp0039520 (Pubitemid 35375182)