Doped assemblies of gold nanoparticles: Structural and electronic properties

Journal of the American Chemical Society

Volumn 132, Issue 34, 2010, Pages 11929-11933

  Martins, Jonathan Da Rocha ^a,b   Batista, Ronaldo J C ^c   Chacham, Hélio ^b  

^a FEDERAL UNIVERSITY OF PIAUÍ   (Brazil)

^b FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

^c FEDERAL UNIVERSITY OF OURO PRETO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ANALYTICAL MODEL; AU NANOPARTICLE; CHARGING ENERGIES; CRITICAL CONCENTRATION; DOPANT CONCENTRATIONS; GOLD NANOPARTICLES; INTERSTITIAL POSITIONS; LIGAND-STABILIZED; LINEAR DEPENDENCE; NANOPARTICLE SURFACE; SCREENING MECHANISM;

ELECTRONIC PROPERTIES; GOLD; MATHEMATICAL MODELS; NANOPARTICLES;

DOPING (ADDITIVES);

GOLD NANOPARTICLE;

AB INITIO CALCULATION; ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; MOLECULAR INTERACTION; NANOFABRICATION;

COMPUTER SIMULATION; ELECTRONS; LIGANDS; METAL NANOPARTICLES; MOLECULAR STRUCTURE; ORGANOGOLD COMPOUNDS; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 77956081970     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja910335h     Document Type: Article

References (32)

1. Kalsin, A. M., Fialkowski, M., Paszewski, M., Smoukov, S. K., Bishop, K. J. M., and Grzybowski, B. A. Science 2006, 312, 420
2. Boettcher, S. W., Strandwitz, N. C., Schierhorn, M., Lock, N., Lonergan, M. C., and Stucky, G. D. Nat. Mater. 2007, 6, 592
3. Kovalenko, M. V., Scheele, M., and Talapin, D. V. Science 2009, 324, 1417
4. Wessels, J. M., Nothofer, H.-G., Ford, W. E., Wrochem, F. V., Scholz, F., Vossmeyer, T., Schroedter, A., Weller, H., and Yasuda, A. J. Am. Chem. Soc. 2004, 126, 3349
5. Redl, F. X., Cho, K.-S., Murray, C. B., and O'Brien, S. Nature 2003, 423, 968
6. Shevchenko, E. V., Talapin, D. V., Kotov, N. A., O'Brien, S., and Murray, C. B. Nature 2006, 439, 55
7. Kalsin, A. M. and Grzybowski, B. A. Nano Lett. 2007, 7, 1018
8. Cheng, W., Campolongo, M. J., Cha, J. J., Tan, S. J., Umbach, C. C., Muller, D. A., and Luo, D. Nat. Mater. 2009, 8, 519
9. Ahmed, A. S. and Ryan, K. M. Adv. Mater. 2008, 20, 4745
10. Boettcher, S. W., Berg, S. A., Schierhorn, M., Strandwitz, N. C., Lonergan, M. C., and Stucky, G. D. Nano Lett. 2008, 8, 3404
11. Pietron, J. J., Hicks, J. F., and Murray, R. W. J. Am. Chem. Soc. 1999, 121, 5565
12. e, that is, the term will be used for finite temperatures as well.
13. Kohn, W. and Sham, L. J. Phys. Rev. 1965, 140, A1133
14. Perdew, John P., Burke, K., and Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
15. Soler, J. M., Artacho, E., Gale, J. D., Garcia, A., Junquera, J., Ordejon, P., and Sanchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745
16. 0) 2.32 (Au), 1.69 (S), 1.25 (C), and 1.25 (H). Linear combinations of numerical pseudoatomic orbitals of finite range consisting of double-radial functions per angular momentum plus polarization orbitals were employed as a basis set. The range of each atomic orbital was determined by a common energy shift of 0.01 Ry. (19, 20) The fineness of the real space grid integration was defined by an energy cutoff (150 Ry) of the plane wave that can be represented in it without aliasing. (21)
17. Troullier, N. and Martins, J. L. Phys. Rev. B 1991, 43, 1995
18. Kleinman, L. and Bylander, D. M. Phys. Rev. Lett. 1982, 48, 1425
19. Sankey, O. F. and Niklewski, D. J. Phys. Rev. B 1989, 40, 3979
20. Junquera, J., Paz, Ó., Sánchez-Portal, D., and Artacho, E. Phys. Rev. B 2001, 64, 235111
21. Moreno, J. and Soler, J. M. Phys. Rev. B 1992, 45, 13891
22. Batista, R. J. C., Mazzoni, M. S. C., Ladeira, L. O., and Chacham, H. Phys. Rev. B 2005, 72 085447
23. Batista, R. J. C., Mazzoni, M. S. C., Garzon, I. L., Beltran, M. R., and Chacham, H. Phys. Rev. Lett. 2006, 96, 116802
24. Batista, R. J. C., Mazzoni, M. S. C., and Chacham, H. Nanotechnology 2010, 21 065705
25. Abécassis, B., Testard, F., and Spalla, O. Phys. Rev. Lett. 2008, 100, 115504
26. Pei, Y., Gao, Y., and Zeng, X. C. J. Am. Chem. Soc. 2008, 130, 7830
27. Garzón, I. L., Rovira, C., Michaelian, K., Beltrán, M. R., Ordejón, P., Junquera, J., Sánchez-Portal, D., Artacho, E., and Soler, J. M. Phys. Rev. Lett. 2000, 85, 5250
28. Akola, J., Walter, M., Whetten, R. L., Hakkinen, H., and Gronbeck, H. J. Am. Chem. Soc. 2008, 130, 3756
29. Jadzinsky, P. D., Calero, G., Ackerson, C. J., Bushnell, D. A., and Kornberg, R. D. Science 2008, 318, 430
30. Ulman, A. Chem. Rev. 1996, 96, 1533
31. Hicks, J. F., Miles, D. T., and Murray, R. W. J. Am. Chem. Soc. 2002, 124, 13322
32. Hicks, J. F., Templeton, A. C., Chen, S., Sheran, K. M., Jasti, R., and Murray, R. W. Anal. Chem. 1999, 71, 3703