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A theoretical analysis of bi-metallic (Cu–Ag)n = 1 − 7 nano alloy clusters invoking DFT based descriptors

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[1] Zabet-Khosousi A., Dhirani A.-A., Chem. Rev., 108 (2008), 4072.10.1021/cr0680134Search in Google Scholar

[2] Daniel M.C., Astruc D., Chem. Rev., 104 (2004), 293.10.1021/cr030698+Search in Google Scholar

[3] Ghosh S.K., Pal T., Chem. Rev., 107 (2007), 4797.10.1021/cr0680282Search in Google Scholar

[4] Chaudhuri R. G., Paria S., Chem. Rev., 112 (2012), 2373.10.1021/cr100449nSearch in Google Scholar

[5] Alivisatos A.P., Science, 271 (1996), 933.10.1126/science.271.5251.933Search in Google Scholar

[6] Kastner M.A., Phys. Today, 46 (1993), 24.10.1063/1.881393Search in Google Scholar

[7] Haruta M., Cattech, 6 (2002), 102.10.1023/A:1020181423055Search in Google Scholar

[8] Dawid A., Gburski Z., J. Molec. Struct., 410 (1997), 507.10.1016/S0022-2860(97)89230-7Search in Google Scholar

[9] Ismail R., Theoretical studies of free and supported nanoalloy clusters, Ph.D. Thesis (2012), 20.Search in Google Scholar

[10] Roucoux A., Schulz J., Patin H., Chem. Rev., 102 (2002), 3757.10.1021/cr010350j12371901Search in Google Scholar

[11] Munoz-Flores B.M., Kharisov B.I., Jimenez-Perez V.M., Martinez P.E., Lopez S.T., Ind. Eng. Chem. Res., 50 (2011), 7705.10.1021/ie200177dSearch in Google Scholar

[12] Murray R.W., Chem. Rev., 108 (2008), 2688.10.1021/cr068077e18558753Search in Google Scholar

[13] Teng X., Wang Q., Liu P., Han W., Frenkel A.I., Wen, Marinkovic N., Hanson J.C., Rodriguez J.A., J. Am. Chem. Soc., 130 (2008), 1093.10.1021/ja077303e18161978Search in Google Scholar

[14] Ferrando R., Jellinek J., Johnston R.L., Chem. Rev., 108 (2008), 845.10.1021/cr040090g18335972Search in Google Scholar

[15] Henglein A., J. Phys. Chem., 97 (1993), 5457.10.1021/j100123a004Search in Google Scholar

[16] Davis S.C., Klabunde K.J., Chem. Rev., 82 (1982), 153.10.1021/cr00048a002Search in Google Scholar

[17] Lewis L.N., Chem. Rev., 93 (1993), 2693.10.1021/cr00024a006Search in Google Scholar

[18] Schmid G., Chem. Rev., 92 (1992), 1709.10.1021/cr00016a002Search in Google Scholar

[19] Schon G., Simon U., Colloid. Polym. Sci., 273 (1995), 101.10.1007/BF00654007Search in Google Scholar

[20] Oderji H.Y., Ding H., Chem. Phys., 388 (2011), 23.10.1016/j.chemphys.2011.07.011Search in Google Scholar

[21] Liu H.B., Pal U., Medina A., Maldonado C., Ascencio J.A., Phys. Rev. B, 71 (2005), 075403.10.1103/PhysRevB.71.075403Search in Google Scholar

[22] Baletto F., Ferrando R., Rev. Mod. Phys. 77 (2005), 371.10.1103/RevModPhys.77.371Search in Google Scholar

[23] Alonso J.A., Chem. Rev., 100 (2000), 637.10.1021/cr980391oSearch in Google Scholar

[24] Katakuse I., Ichihara T., Fujita Y., Matsuo T., Sakurai T., Matsuda H., Int. J. Mass Spectrom. Ion Processes, 67 (1985), 229.10.1016/0168-1176(85)80021-5Search in Google Scholar

[25] Katakuse I., Ichihara T., Fujita Y., Matsuo T., Sakurai T., Matsuda H., Int. J. Mass Spectrom., 74 (1986), 33.10.1016/0168-1176(86)85021-2Search in Google Scholar

[26] Heer W.A.D., Rev. Mod. Phys., 65 (1993), 611.10.1103/RevModPhys.65.611Search in Google Scholar

[27] Gantefor G., Gausa M., Meiwes-Broer K.-H., Lutz H.O., J. Chem. Soc., Faraday Trans., 86 (1990), 2483.10.1039/FT9908602483Search in Google Scholar

[28] Leopold D.G., Ho J., Lineberger W.C., J. Chem. Phys., 86 (1987), 1715.10.1063/1.452170Search in Google Scholar

[29] Lattes A., Rico I., Savignac A.D., Samii A.A.Z., Tetrahedron, 43 (1987), 1725.10.1016/S0040-4020(01)90284-4Search in Google Scholar

[30] Chen F., Xu G.-Q., Hor T.S.A., Mater. Lett., 57 (2003), 3282.10.1016/S0167-577X(03)00048-XSearch in Google Scholar

[31] Taleb A., Petit C., Pileni M.P., J. Phys. Chem. B, 102 (1998), 2214.10.1021/jp972807sSearch in Google Scholar

[32] Langlois C., Wang Z.W., Pearmain D., Ricolleau C., Li Z.Y., J. Phys., 241 (2010), 012043.10.1088/1742-6596/241/1/012043Search in Google Scholar

[33] Jankowiak J.T.A., Barteau M.A., J. Catal., 236 (2005), 366.10.1016/j.jcat.2005.10.018Search in Google Scholar

[34] Piccinin S., Zafeiratos S., Stampfl C., Hansen T.W., Hävecker M., Teschner D., Phys. Rev. Lett., 104 (2010), 035503-1.10.1103/PhysRevLett.104.035503Search in Google Scholar

[35] Wacker O.J., Kummel R., Gross E.K.U., Phys. Rev. Lett.,73 (1994), 291510.1103/PhysRevLett.73.2915Search in Google Scholar

[36] Illas F., Martin R.L., J. Chem. Phys., 108 (1998), 2519.10.1063/1.475636Search in Google Scholar

[37] Gyorffy B., Staunton J., Stocks G., in: Gross E., Dreizler R. (Eds.), Fluctuations in density functional theory: random metallic alloys and itinerant paramagnets, Plenum, NY, 1995, p. 461.Search in Google Scholar

[38] Kümmel S., Brack M., Phys. Rev. A, 64 (2001), 022506.10.1103/PhysRevA.64.022506Search in Google Scholar

[39] Car R., Parrinello M., Phys. Rev. Lett., 55 (1985), 2471.10.1103/PhysRevLett.55.2471Search in Google Scholar

[40] Koskinen M., Lipas P., Manninen M., Nucl. Phys. A, 591 (1995), 421.10.1016/0375-9474(95)00209-JSearch in Google Scholar

[41] Schmid R.N., Engel E., Dreizler R.M., Phys. Rev. C, 52 (1995), 164.10.1103/PhysRevC.52.1649970494Search in Google Scholar

[42] Chakraborty T., Ghosh D.C., Int. J. Chemoinf. Chem. Eng., 1 (2011), 53.Search in Google Scholar

[43] Chakraborty T., Ghosh D.C., Int. J. Chem. Model., 4 (2012), 413.Search in Google Scholar

[44] Parr R.G., Yang W., Annu. Rev. Phy. Chem., 46 (1995), 701.10.1146/annurev.pc.46.100195.00341324341393Search in Google Scholar

[45] Kohn W., Becke A.D., Parr R.G., J. Phys. Chem., 100 (1996), 12974.10.1021/jp960669lSearch in Google Scholar

[46] Liu S., Parr R.G., J. Chem. Phys., 106 (1997), 5578.10.1063/1.473580Search in Google Scholar

[47] Ziegler T., Chem. Rev., 91 (1991), 651.10.1021/cr00005a001Search in Google Scholar

[48] Parr R.G., Yang W., Density functional theory of atoms and molecules, Oxford University Press, Oxford, 1989.Search in Google Scholar

[49] Chermette H., J. Comp. Chem., 20 (1999), 129.10.1002/(SICI)1096-987X(19990115)20:1<129::AID-JCC13>3.0.CO;2-ASearch in Google Scholar

[50] Geerlings P., Proft F.D., Langenaeker W., Chem. Rev., 103 (2003), 1793.10.1021/cr990029pSearch in Google Scholar

[51] Geerlings P., Proft F.D., Int. J. Mol. Sci., 3 (2002), 276.10.3390/i3040276Search in Google Scholar

[52] ADF2013, SCM, Theoretical chemistry, Vrije Universiteit, Amsterdam, 2013.Search in Google Scholar

[53] Jones R.O., Gunnarsson O., Rev. Mod. Phys., 61 (1989), 689.10.1103/RevModPhys.61.689Search in Google Scholar

[54] Zupan A., Blaha P., Schwarz K., Perdew J.P., Phys. Rev. B., 58 (1998), 11266.10.1103/PhysRevB.58.11266Search in Google Scholar

[55] Theilhaber J., Phys. Fluids B, 4 (1992), 2044.10.1063/1.860013Search in Google Scholar

[56] Stadler R., Gillan M.J., J. Phys.-Condens. Mat., 12 (2000), 6053.10.1088/0953-8984/12/28/304Search in Google Scholar

[57] Argaman N., Makov G., J. Phys.-Condens. Mat., 68 (2000), 69.10.1119/1.19375Search in Google Scholar

[58] Xiao H., Kheli J.T., Goddard III W.A., J. Phys. Chem. Lett., 2 (2011), 212.10.1021/jz101565jSearch in Google Scholar

[59] Wang H.Q., Kuang X.Y., Li H.F., Phys. Chem. Chem. Phys., 12 (2010), 5156.10.1039/b923003c20358129Search in Google Scholar

[60] Beutel V., Kramer H.G., Bhale G.L., Kuhn M., Weyers K., Demtroder W., J. Chem. Phys., 98 (1993), 2699.10.1063/1.464151Search in Google Scholar

[61] Balbuena P.B., Derosa P.A., Seminario J.M., J. Phys. Chem. B, 103 (1999), 2830.10.1021/jp982775oSearch in Google Scholar

[62] Bishea G.A., Marak N., Morse M.D., J. Chem. Phys., 95 (1991), 5618.10.1063/1.461637Search in Google Scholar

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