Structural, electronic and optical properties of 7-atom Ag-Cu nanoclusters from density functional theory

European Physical Journal D

Volumn 68, Issue 4, 2014, Pages

  Li, Weiyin ^a   Chen, Fuyi ^a  

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Clusters and Nanostructures

Indexed keywords

BINARY ALLOYS; COPPER; DENSITY FUNCTIONAL THEORY; LIGHT ABSORPTION; NANOCLUSTERS; OPTICAL CORRELATION; OPTICAL PROPERTIES; RAMAN SCATTERING; SILVER; VIBRATIONAL SPECTRA;

BIMETALLIC CLUSTERS; CLUSTERS AND NANOSTRUCTURES; CU ATOMS; CU NANOCLUSTERS; DENSITY-FUNCTIONAL-THEORY; ELECTRONIC AND OPTICAL PROPERTIES; EXCHANGE-CORRELATION FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; LOWER ENERGIES; PSEUDOPOTENTIALS;

ELECTRONIC PROPERTIES;

EID: 84919793484     PISSN: 14346060     EISSN: 14346079     Source Type: Journal    
DOI: 10.1140/epjd/e2014-40737-y     Document Type: Article

References (69)

1. G.K. Darbha, A. Ray, P.C. Ray, ACS Nano 1, 208 (2007)
2. C.A. Mirkin, R.L. Letsinger, R.C. Mucic, J.J. Storhoff, Nature 382, 607 (1996)
3. M.L. Brongersma, J.W. Hartman, H.A. Atwater, Phys. Rev. B 62, 16356 (2000)
4. M. Quinten, A. Leitner, J.R. Krenn, F.R. Aussenegg, Opt. Lett. 23, 1331 (1998)
5. L.N. Lewis, Chem. Rev. 93, 2693 (1993)
6. R. Ferrando, J. Jellinek, R.L. Johnston, Chem. Rev. 108, 845 (2008)
7. J. Jellinek, Faraday Discuss. 138, 11 (2008)
8. F. Chen, R.L. Johnston, Acta Mater. 56, 2374 (2008)
9. F.Y. Chen, R.L. Johnston, Appl. Phys. Lett. 90, 153123 (2007)
10. S. Núñez, R.L. Johnston, J. Phys. Chem. C 114, 13255 (2010)
11. Z.Y. Jiang, K.H. Lee, S.T. Li, S.Y. Chu, Phys. Rev. B 73, 235423 (2006)
12. D.A. Kilimis, D.G. Papageorgiou, Eur. Phys. J. D 56, 189 (2010)
13. R. Ferrando, A. Fortunelli, R.L. Johnston, Phys. Chem. Chem. Phys. 10, 640 (2008)
14. R. Ferrando, A. Fortunelli, G. Rossi, Phys. Rev. B 72, 085449 (2005)
15. A. Rapallo, G. Rossi, R. Ferrando, A. Fortunelli, B.C. Curley, L.D. Lloyd, G.M. Tarbuck, R.L. Johnston, J. Chem. Phys. 122, 194308 (2005)
16. G. Rossi, A. Rapallo, C. Mottet, A. Fortunelli, F. Baletto, R. Ferrando, Phys. Rev. Lett. 93, 105503 (2004)
17. G. Barcaro, A. Fortunelli, G. Rossi, F. Nita, R. Ferrando, J. Phys. Chem. B 110, 23197 (2006)
18. M. Molayem, V.G. Grigoryan, M. Springborg, J. Phys. Chem. C 115, 22148 (2011)
19. H. Yildirim, A. Kara, T.S. Rahman, J. Phys. Chem. C 116, 281 (2012)
20. D. Bochicchio, R. Ferrando, Nano Lett. 10, 4211 (2010)
21. D. Bochicchio, R. Ferrando, Eur. Phys. J. D 66, 115 (2012)
22. H.C. Weissker, C. Mottet, Phys. Rev. B 84, 165443 (2011)
23. B. Delley, J. Chem. Phys. 92, 508 (1990)
24. B. Delley, J. Chem. Phys. 113, 7756 (2000)
25. K. Shin, D.H. Kim, S.C. Yeo, H.M. Lee, Catal. Today 185, 94 (2012)
26. C.J. Heard, R.L. Johnston, Eur. Phys. J. D 67, 34 (2013)
27. W.Q. Ma, F.Y. Chen, J. Alloys Compd. 541, 79 (2012)
28. Y. Rao, Y.M. Lei, X.Y. Cui, Z.W. Liu, F.Y. Chen, J. Alloys Compd. 55, 50 (2013)
29. W. Li, F. Chen, Comput. Mater. Sci. 81, 587 (2014)
30. W.Y. Li, F.Y. Chen, J. Nanopart. Res. 15, 1809 (2013)
31. W. Li, F. Chen, Appl. Phys. A 113, 543 (2013)
32. G.A. Bishea, N. Marak, M.D. Morse, J. Chem. Phys. 95, 5618 (1991)
33. G.A. Bishea, C.A. Arrington, J.M. Behm, M.D. Morse, J. Chem. Phys. 95, 8765 (1991)
34. M.A. Cheeseman, J.R. Eyler, J. Phys. Chem. 96, 1082 (1992)
35. M. Cazayous, C. Langlois, T. Oikawa, C. Ricolleau, A. Sacuto, Phys. Rev. B 73 (2006)
36. C. Langlois, D. Alloyeau, Y. Le Bouar, A. Loiseau, T. Oikawa, C. Mottet, C. Ricolleau, Faraday Discuss. 138, 375 (2008)
37. C. Langlois, Z.L. Li, J. Yuan, D. Alloyeau, J. Nelayah, D. Bochicchio, R. Ferrando, C. Ricolleau, Nanoscale 4, 3381 (2012)
38. M. Tsuji, S. Hikino, R. Tanabe, M. Matsunaga, Y. Sano, CrystEngComm 12, 3900 (2010)
39. B. Delley, Phys. Rev. B 66, 155125 (2002)
40. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
41. B. Delley, J. Phys.: Condens. Matter 22, 384208 (2010)
42. P.S. Bechthold, U. Kettler, W. Krasser, Surf. Sci. 156, 875 (1985)
43. S. Fedrigo, W. Harbich, J. Buttet, Phys. Rev. B 47, 10706 (1993)
44. J.C. Idrobo, S. Ogut, J. Jellinek, Phys. Rev. B 72, 085445 (2005)
45. S. Öʇüt, J.C. Idrobo, J. Jellinek, J. Wang, J. Cluster Sci. 17, 609 (2006)
46. M.L. Tiago, J.C. Idrobo, S. Ogut, J. Jellinek, J.R. Chelikowsky, Phys. Rev. B 79, 155419 (2009)
47. K. Yabana, G.F. Bertsch, Phys. Rev. A 60, 3809 (1999)
48. J. Yan, S.W. Gao, Phys. Rev. B 78, 235413 (2008)
49. V. Bonačicì-Koutecky, V. Veyret, R. Mitricì, J. Chem. Phys. 115, 10450 (2001)
50. R. Poteau, J.-L. Heully, F. Spiegelmann, Z. Phys. D 40, 479 (1997)
51. C. Jackschath, I. Rabin, W. Schulze, Z. Phys. D 22, 517 (1992)
52. G. Alameddin, J. Hunter, D. Cameron, M.M. Kappes, Chem. Phys. Lett. 192, 122 (1992)
53. V. Bonačicì-Kouteckyì, L. Češpiva, P. Fantucci, J. Kouteckyì, J. Chem. Phys. 98, 7981 (1993)
54. D. Tian, H. Zhang, J. Zhao, Solid State Commun. 144, 174 (2007)
55. M. Tiago, J. Idrobo, S. Öʇüt, J. Jellinek, J. Chelikowsky, Phys. Rev. B 79, 155419 (2009)
56. R. Fournier, J. Chem. Phys. 115, 2165 (2001)
57. V.A. Spasov, T.-H. Lee, K.M. Ervin, J. Chem. Phys. 112, 1713 (2000)
58. S. Li, M.M. Alemany, J.R. Chelikowsky, J. Chem. Phys. 125, 34311 (2006)
59. M. Yang, K.A. Jackson, J. Chem. Phys. 122, 184317 (2005)
60. S. Gautam, K. Dharamvir, N. Goel, Comput. Theor. Chem. 1009, 8 (2013)
61. M.B. Knickelbein, Chem. Phys. Lett. 192, 129 (1992)
62. K. Jug, B. Zimmermann, P. Calaminici, A.M. Köster, J. Chem. Phys. 116, 4497 (2002)
63. G. Guzmán-Ramírez, F. Aguilera-Granja, J. Robles, Eur. Phys. J. D 57, 335 (2010)
64. P. Jaque, A. Toro-Labbeì, J. Chem. Phys. 117, 3208 (2002)
65. S. Lecoultre, A. Rydlo, J. Buttet, C. Felix, S. Gilb, W. Harbich, J. Chem. Phys. 134, 184504 (2011)
66. M. Harb, F. Rabilloud, D. Simon, A. Rydlo, S. Lecoultre, F. Conus, V. Rodrigues, C. Felix, J. Chem. Phys. 129, 194108 (2008)
67. W. Harbich, S. Fedrigo, J. Buttet, Z. Phys. D 26, 138 (1993)
68. S. Lecoultre, A. Rydlo, C. Felix, J. Buttet, S. Gilb, W. Harbich, J. Chem. Phys. 134, 074303 (2011)
69. G.A. Ozin, D.F. McIntosh, J. Phys. Chem. 90, 5756 (1986)