A discrete interaction model/quantum mechanical method to describe the interaction of metal nanoparticles and molecular absorption

Journal of Chemical Physics

Volumn 135, Issue 13, 2011, Pages

  Morton, Seth Michael ^a   Jensen, Lasse ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED MOLECULES; ANALYTICAL MODEL; DISCRETE INTERACTION; FREQUENCY-DEPENDENT; LENGTH SCALE; LOCAL ENVIRONMENTS; LONG RANGE; MECHANICAL METHODS; METAL NANOPARTICLES; MOLECULAR ABSORPTION; NANOPARTICLE SURFACE; NAPHTHOQUINONE; PLASMON EXCITATIONS; RESPONSE PROPERTIES; SILVER NANOPARTICLES; SINGLE-MOLECULE; STRONG COUPLING; SURFACE ENHANCED RAMAN SCATTERING; TRANSITION DIPOLE MOMENTS;

ABSORPTION; ELECTRIC DIPOLE MOMENTS; KETONES; MATHEMATICAL MODELS; MECHANICAL PROPERTIES; MECHANICS; MOLECULAR MODELING; MOLECULES; NANOPARTICLES; OPTICAL PROPERTIES; PLASMONS; RAMAN SCATTERING; SILVER;

METALS;

EID: 80054683084     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3643381     Document Type: Article

References (84)

1. H. A. Atwater and A. Polman, Nature Mater. 9, 205 (2010). 10.1038/nmat2629
2. V. E. Ferry, J. N. Munday, and H. A. Atwater, Adv. Mater. 22, 4794 (2010). 10.1002/adma.201000488
3. E. Ozbay, Science 311, 189 (2006). 10.1126/science.1114849 (Pubitemid 43108176)
4. S. A. Maier and H. A. Atwater, J. Appl. Phys. 98, 011101 (2005). 10.1063/1.1951057 (Pubitemid 41049005)
5. S. A. Maier, Plasmonics: Fundamentals and Applications (Springer, New York, 2007).
6. K. Kneipp, H. Kneipp, I. Itzkan, R. R. Dasari, and M. S. Feld, Chem. Rev. 99, 2957 (1999). 10.1021/cr980133r
7. C. A. Mirkin, R. L. Letsinger, R. C. Mucic, and J. J. Storhoff, Nature (London) 382, 607 (1996). 10.1038/382607a0 (Pubitemid 26268949)
8. A. J. Haes, W. P. Hall, L. Chang, W. L. Klein, and R. P. Van Duyne, Nano Lett. 4, 1029 (2004). 10.1021/nl049670j (Pubitemid 38859975)
9. C. R. Yonzon, C. L. Haynes, X. Y. Zhang, J. T. Walsh Jr., and R. P. Van Duyne, Anal. Chem. 76, 78 (2004). 10.1021/ac035134k (Pubitemid 38040635)
10. P. Alivisatos, Nat. Biotechnol. 22, 47 (2004). 10.1038/nbt927 (Pubitemid 38057955)
11. A. J. Haes, C. L. Haynes, A. D. McFarland, G. C. Schatz, R. P. Van Duyne, and S. Zou, MRS Bull. 30, 368 (2005). 10.1557/mrs2005.100
12. N. L. Rosi and C. A. Mirkin, Chem. Rev. 105, 1547 (2005). 10.1021/cr030067f (Pubitemid 40596871)
13. S. M. Morton, D. W. Silverstein, and L. Jensen, Chem. Rev. 111, 3962 (2011). 10.1021/cr100265f
14. J. Homola, S. S. Yee, and G. Gauglitz, Sens. Actuators B 54, 3 (1999). 10.1016/S0925-4005(98)00321-9
15. G. C. Schatz and R. P. Van Duyne, in Handbook of Vibrational Spectroscopy, edited by, J. M. Chalmers, and, P. R. Griffiths, (Wiley, New York, 2002), Vol. 1, pp. 759-774.
16. W. L. Barnes, J. Mod. Opt. 45, 661 (1998). 10.1080/09500349808230614
17. J. R. Lakowicz, Anal. Biochem. 298, 1 (2001). 10.1006/abio.2001.5377 (Pubitemid 33030116)
18. N. Kometani, M. Tsubonishi, T. Fujita, K. Asami, and Y. Yonezawa, Langmuir 17, 578 (2001). 10.1021/la0013190 (Pubitemid 32873120)
19. G. Wiederrecht, G. Wurtz, and J. Hranisavljevic, Nano Lett. 4, 2121 (2004). 10.1021/nl0488228
20. T. Ambjrnsson, G. Mukhopadhyay, S. P. Apell, and M. Kll, Phys. Rev. B 73, 085412 (2006). 10.1103/PhysRevB.73.085412 (Pubitemid 43270790)
21. Y. Sugawara, T. A. Kelf, J. J. Baumberg, M. E. Abdelsalam, and P. N. Bartlett, Phys. Rev. Lett. 97, 266808 (2006). 10.1103/PhysRevLett.97.266808 (Pubitemid 46135019)
22. T. Uwada, R. Toyota, H. Masuhara, and T. Asahi, J. Phys. Chem. C 111, 1549 (2007). 10.1021/jp067565n (Pubitemid 46346995)
23. A. M. Kelley, Nano Lett. 7, 3235 (2007). 10.1021/nl072054d (Pubitemid 350132960)
24. B. K. Juluri, M. Lu, Y. B. Zheng, T. J. Huang, and L. Jensen, J. Phys. Chem. C 113, 18499 (2009). 10.1021/jp908215a
25. Y. B. Zheng, B. K. Juluri, L. L. Jensen, D. Ahmed, M. Lu, L. Jensen, and T. J. Huang, Adv. Mater. 22, 3603 (2010). 10.1002/adma.201000251
26. Y. B. Zheng, Y.-W. Yang, L. Jensen, L. Fang, B. K. Juluri, A. H. Flood, P. S. Weiss, J. F. Stoddart, and T. J. Huang, Nano Lett. 9, 819 (2009). 10.1021/nl803539g
27. G. L. Liu, Y.-T. Long, Y. Choi, T. Kang, and L. P. Lee, Nat. Methods 4, 1015 (2007). 10.1038/nmeth1133 (Pubitemid 350201772)
28. G. Mie, Ann. Phys. (Leipzig) 330, 377 (1908). 10.1002/andp.19083300302
29. W.-H. Yang, G. C. Schatz, and R. P. Van Duyne, J. Chem. Phys. 103, 869 (1995). 10.1063/1.469787
30. B. T. Draine and P. J. Flatau, J. Opt. Soc. Am. A 11, 1491 (1994). 10.1364/JOSAA.11.001491
31. R. X. Bian, R. C. Dunn, X. S. Xie, and P. T. Leung, Phys. Rev. Lett. 75, 4772 (1995). 10.1103/PhysRevLett.75.4772
32. V. Myroshnychenko, E. Carbo-Argibay, I. Pastoriza-Santos, J. Perez-Juste, L. M. Liz-Marzan, and F. J. Garcia de Abajo, Adv. Mater. 20, 4288 (2008). 10.1002/adma.200703214
33. S. M. Morton and L. Jensen, J. Am. Chem. Soc. 131, 4090 (2009). 10.1021/ja809143c
34. L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 128, 2911 (2006). 10.1021/ja0556326
35. L. Jensen, C. M. Aikens, and G. C. Schatz, Chem. Soc. Rev. 37, 1061 (2008). 10.1039/b706023h
36. S. Corni and J. Tomasi, J. Chem. Phys. 114, 3739 (2001). 10.1063/1.1342241 (Pubitemid 32253386)
37. S. Corni and J. Tomasi, J. Chem. Phys. 117, 7266 (2002). 10.1063/1.1507579 (Pubitemid 35354172)
38. S. Corni and J. Tomasi, J. Chem. Phys. 116, 1156 (2002). 10.1063/1.1428349 (Pubitemid 34091420)
39. S. Vukovic, S. Corni, and B. Mennucci, J. Phys. Chem. C 113, 121 (2009). 10.1021/jp808116y
40. S. Jrgensen, M. A. Ratner, and K. V. Mikkelsen, J. Chem. Phys. 115, 3792 (2001). 10.1063/1.1387979 (Pubitemid 32795693)
41. D. Neuhauser and K. Lopata, J. Chem. Phys. 127, 154715 (2007). 10.1063/1.2790436 (Pubitemid 351260804)
42. K. Lopata and D. Neuhauser, J. Chem. Phys. 130, 104707 (2009). 10.1063/1.3082245
43. V. Arcisauskaite, J. Kongsted, T. Hansen, and K. V. Mikkelsen, Chem. Phys. Lett. 470, 285 (2009). 10.1016/j.cplett.2009.01.067
44. D. J. Masiello and G. C. Schatz, Phys. Rev. A 78, 042505 (2008). 10.1103/PhysRevA.78.042505
45. D. J. Masiello and G. C. Schatz, J. Chem. Phys. 132, 064102 (2010). 10.1063/1.3308624
46. H. Chen, J. M. McMahon, M. A. Ratner, and G. C. Schatz, J. Phys. Chem. C 114, 14384 (2010). 10.1021/jp1043392
47. L. L. Jensen and L. Jensen, J. Phys. Chem. C 112, 15697 (2008). 10.1021/jp804116z
48. L. L. Jensen and L. Jensen, J. Phys. Chem. C 113, 15182 (2009). 10.1021/jp904956f
49. S. M. Morton and L. Jensen, J. Chem. Phys. 133, 074103 (2010). 10.1063/1.3457365
50. L. Jensen, P. T. van Duijnen, and J. G. Snijders, J. Chem. Phys. 119, 3800 (2003). 10.1063/1.1590643
51. L. Jensen, P. T. van Duijnen, and J. G. Snijders, J. Chem. Phys. 118, 514 (2003). 10.1063/1.1527010
52. L. Jensen, M. Swart, P. T. van Duijnen, and J. Autschbach, Int. J. Quantum Chem. 106, 2479 (2006). 10.1002/qua.21043 (Pubitemid 44342961)
53. E. Runge and E. K.U. Gross, Phys. Rev. Lett. 52, 997 (1984). 10.1103/PhysRevLett.52.997
54. E. K.U. Gross and W. Kohn, Adv. Quantum Chem. 21, 255 (1990). 10.1016/S0065-3276(08)60600-0
55. R. van Leeuwen, Int. J. Mod. Phys. B 15, 1969 (2001). 10.1142/S021797920100499X
56. M. E. Casida, in Recent Advances in Density-Functional Methods, edited by, D. P. Chong, (World Scientific, Singapore, 1995), p. 155.
57. M. E. Casida, in Recent Developments and Applications of Modern Density Functional Theory, edited by, J. M. Seminario, (Elsevier, Amsterdam, 1996).
58. M. L. Olson and K. R. Sundberg, J. Chem. Phys. 69, 5400 (1978). 10.1063/1.436570
59. J. Applequist, J. Phys. Chem. 97, 6016 (1993). 10.1021/j100124a039
60. L. Jensen, P.-O. strand, and K. V. Mikkelsen, Int. J. Quantum Chem. 84, 513 (2001). 10.1002/qua.1405 (Pubitemid 32887914)
61. L. Jensen, J. Autschbach, and G. C. Schatz, J. Chem. Phys. 122, 224115 (2005). 10.1063/1.1929740 (Pubitemid 40844866)
62. E. J. Baerends, J. Autschbach, A. Brces, C. Bo, P. M. Boerrigter, L. Cavallo, D. P. Chong, L. Deng, R. M. Dickson, D. E. Ellis, L. Fan, T. H. Fischer, C. Fonseca Guerra, S. J. A. van Gisbergen, J. A. Groeneveld, O. V. Gritsenko, M. Grning, F. E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, V. P. Osinga, S. Patchkovskii, P. H.T. Philipsen, D. Post, C. C. Pye, W. Ravenek, P. Ros, P. R.T. Schipper, G. Schreckenbach, J. G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. van Wezenbeek, G. Wiesenekker, S. K. Wolff, T. K. Woo, and T. Ziegler, Amsterdam Density Functional, Scientific Compositing Modeling, Amsterdam, The Netherlands, 2011.
63. G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders, and T. Ziegler, J. Comput. Chem. 22, 931 (2001). 10.1002/jcc.1056 (Pubitemid 32455733)
64. P. R. T. Schipper, O. V. Gritsenko, S. J. A. van Gisbergen, and E. J. Baerends, J. Chem. Phys. 112, 1344 (2000). 10.1063/1.480688
65. S. J. A. van Gisbergen, J. G. Snijders, and E. J. Baerends, Comput. Phys. Commun. 118, 119 (1999). 10.1016/S0010-4655(99)00187-3
66. S. J. A. van Gisbergen, J. G. Snijders, and E. J. Baerends, J. Chem. Phys. 103, 9347 (1995). 10.1063/1.469994
67. D. Jacquemin, E. A. Perpete, G. E. Scuseria, I. Ciofini, and C. Adamo, J. Chem. Theor. Comput. 4, 123 (2008). 10.1021/ct700187z
68. J. Gersten and A. Nitzan, J. Chem. Phys. 73, 3023 (1980). 10.1063/1.440560
69. E. C. Le Ru and P. G. Etchegoin, Chem. Phys. Lett. 423, 63 (2006). 10.1016/j.cplett.2006.03.042
70. L. Silberstein, Philos. Mag. 33, 521 (1917). 10.1080/14786440608635666
71. L. Jensen, P.-O. strand, A. Osted, J. Kongsted, and K. V. Mikkelsen, J. Chem. Phys. 116, 4001 (2002). 10.1063/1.1433747 (Pubitemid 34452739)
72. P. Das and H. Metiu, J. Phys. Chem. 89, 4680 (1985). 10.1021/j100268a007
73. L. Brus, Acc. Chem. Res. 41, 1742 (2008). 10.1021/ar800121r
74. R. C. Jin, Y. C. Cao, E. C. Hao, G. S. Metraux, G. C. Schatz, and C. A. Mirkin, Nature (London) 425, 487 (2003). 10.1038/nature02020 (Pubitemid 37237039)
75. H. Nabika, M. Takase, F. Nagasawa, and K. Murakoshi, J. Phys. Chem. Lett. 1, 2470 (2010). 10.1021/jz100914r
76. S. M. Nie and S. R. Emory, Science 275, 1102 (1997). 10.1126/science.275. 5303.1102 (Pubitemid 27097304)
77. K. Kneipp, Y. Wang, H. Kneipp, L. T. Perelman, I. Itzkan, R. R. Dasari, and M. S. Feld, Phys. Rev. Lett. 78, 1667 (1997). 10.1103/PhysRevLett.78.1667
78. H. Xu, E. J. Bjerneld, M. Kll, and L. Brjesson, Phys. Rev. Lett. 83, 4357 (1999). 10.1103/PhysRevLett.83.4357
79. A. M. Michaels, M. Nirmal, and L. E. Brus, J. Am. Chem. Soc. 121, 9932 (1999). 10.1021/ja992128q (Pubitemid 29526689)
80. J. A. Dieringer, R. B. Lettan, K. A. Scheidt, and R. P. Van Duyne, J. Am. Chem. Soc. 129, 16249 (2007). 10.1021/ja077243c
81. R. R. Chance, A. Prock, and R. Silbey, J. Chem. Phys. 60, 2184 (1974). 10.1063/1.1681335
82. R. R. Chance, A. Prock, and R. Silbey, J. Chem. Phys. 60, 2744 (1974). 10.1063/1.1681437
83. R. R. Chance, A. H. Miller, A. Prock, and R. Silbey, J. Chem. Phys. 63, 1589 (1975). 10.1063/1.431483
84. R. R. Chance, A. Prock, and R. Silbey, in Advances in Chemical Physics, edited by, S. A. R. I. Prigogine, (Wiley, Hoboken, NJ, 1978), Vol. 37, Chap. 1, pp. 1-65.