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Volumn 993, Issue , 2012, Pages 36-44

Atomic structures and electronic properties of small Au-Ag binary clusters: Effects of size and composition

Author keywords

Binary clusters; Genetic algorithm; Lowest energy structure

Indexed keywords


EID: 84863857796     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.05.027     Document Type: Article
Times cited : (54)

References (56)
  • 1
    • 4544365854 scopus 로고    scopus 로고
    • Theoretical chemistry of gold
    • Pyykkö P. Theoretical chemistry of gold. Angew. Chem. Int. Ed. 2004, 43:4412-4456.
    • (2004) Angew. Chem. Int. Ed. , vol.43 , pp. 4412-4456
    • Pyykkö, P.1
  • 2
    • 25844501269 scopus 로고    scopus 로고
    • Structural properties of nanoclusters: energetic, thermodynamic, and kinetic effects
    • Baletto F., Ferrando R. Structural properties of nanoclusters: energetic, thermodynamic, and kinetic effects. Rev. Mod. Phys. 2005, 77:371-423.
    • (2005) Rev. Mod. Phys. , vol.77 , pp. 371-423
    • Baletto, F.1    Ferrando, R.2
  • 3
    • 0030768397 scopus 로고    scopus 로고
    • Selective colorimetric detection of polynucleotides based on the distance-dependent optical properties of gold nanoparticles
    • Elghanian R., Storhoff J.J., Mucic R.C., Letsinger R.L., Mirkin C.A. Selective colorimetric detection of polynucleotides based on the distance-dependent optical properties of gold nanoparticles. Science 1997, 277:1078-1081.
    • (1997) Science , vol.277 , pp. 1078-1081
    • Elghanian, R.1    Storhoff, J.J.2    Mucic, R.C.3    Letsinger, R.L.4    Mirkin, C.A.5
  • 4
    • 0031578438 scopus 로고    scopus 로고
    • An electrochemical coulomb staircase: detection of single electron-transfer events at nanometer electrodes
    • Fan F.R.F., Bard A.J. An electrochemical coulomb staircase: detection of single electron-transfer events at nanometer electrodes. Science 1997, 277:1791-1793.
    • (1997) Science , vol.277 , pp. 1791-1793
    • Fan, F.R.F.1    Bard, A.J.2
  • 5
    • 0032508688 scopus 로고    scopus 로고
    • Onset of catalytic activity of gold clusters on Titania with the appearance of nonmetallic properties
    • Valden M., Lai X., Goodman D.W. Onset of catalytic activity of gold clusters on Titania with the appearance of nonmetallic properties. Science 1998, 281:1647-1650.
    • (1998) Science , vol.281 , pp. 1647-1650
    • Valden, M.1    Lai, X.2    Goodman, D.W.3
  • 10
    • 33750428953 scopus 로고    scopus 로고
    • Structural evolution of Au nanoclusters: from planar to cage to tubular motifs
    • Xing X., Yoon B., Landman U., Parks J.H. Structural evolution of Au nanoclusters: from planar to cage to tubular motifs. Phys. Rev. B 2006, 74:165423.
    • (2006) Phys. Rev. B , vol.74 , pp. 165423
    • Xing, X.1    Yoon, B.2    Landman, U.3    Parks, J.H.4
  • 11
    • 3042672556 scopus 로고    scopus 로고
    • From planar to three-dimensional structural transition in gold clusters and the spin-orbit coupling effect
    • Xiao L., Wang L. From planar to three-dimensional structural transition in gold clusters and the spin-orbit coupling effect. Chem. Phys. Lett. 2004, 392:452-455.
    • (2004) Chem. Phys. Lett. , vol.392 , pp. 452-455
    • Xiao, L.1    Wang, L.2
  • 12
    • 0041887221 scopus 로고    scopus 로고
    • On the electronic and atomic structures of small AuN- (N=4-14) clusters: a photoelectron spectroscopy and density-functional study
    • Häkkinen H., Yoon B., Landman U., Li X., Zhai H.J., Wang L.S. On the electronic and atomic structures of small AuN- (N=4-14) clusters: a photoelectron spectroscopy and density-functional study. J. Phys. Chem. A 2003, 107:6168-6175.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 6168-6175
    • Häkkinen, H.1    Yoon, B.2    Landman, U.3    Li, X.4    Zhai, H.J.5    Wang, L.S.6
  • 13
    • 0037307312 scopus 로고    scopus 로고
    • Theoretical study of small two-dimensional gold clusters
    • Zhao J., Yang J., Hou J.G. Theoretical study of small two-dimensional gold clusters. Phys. Rev. B 2003, 67:085404.
    • (2003) Phys. Rev. B , vol.67 , pp. 085404
    • Zhao, J.1    Yang, J.2    Hou, J.G.3
  • 14
    • 68049095251 scopus 로고    scopus 로고
    • 2D-3D transition for cationic and anionic gold clusters: a kinetic energy density functional study
    • Ferrighi L., Hammer B., Madsen G.K.H. 2D-3D transition for cationic and anionic gold clusters: a kinetic energy density functional study. J. Am. Chem. Soc. 2009, 131:10605-10609.
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 10605-10609
    • Ferrighi, L.1    Hammer, B.2    Madsen, G.K.H.3
  • 19
    • 0035420288 scopus 로고    scopus 로고
    • Theoretical study of the structure of silver clusters
    • Fournier R. Theoretical study of the structure of silver clusters. J. Chem. Phys. 2001, 115:2165.
    • (2001) J. Chem. Phys. , vol.115 , pp. 2165
    • Fournier, R.1
  • 20
    • 0035377038 scopus 로고    scopus 로고
    • Tight-binding study of structural and electronic properties of silver clusters
    • Zhao J., Luo Y., Wang G. Tight-binding study of structural and electronic properties of silver clusters. Eur. Phys. J. D. 2001, 14:309-316.
    • (2001) Eur. Phys. J. D. , vol.14 , pp. 309-316
    • Zhao, J.1    Luo, Y.2    Wang, G.3
  • 22
    • 34548692767 scopus 로고    scopus 로고
    • n (n=3-22) clusters using a genetic algorithm and density functional theory method
    • n (n=3-22) clusters using a genetic algorithm and density functional theory method. Solid State Commun. 2007, 144:174-179.
    • (2007) Solid State Commun. , vol.144 , pp. 174-179
    • Tian, D.1    Zhang, H.2    Zhao, J.3
  • 25
    • 0037174405 scopus 로고    scopus 로고
    • Catalytic CO oxidation by a gold nanoparticle: a density functional study
    • Lopez N., Nørskov J.K. Catalytic CO oxidation by a gold nanoparticle: a density functional study. J. Am. Chem. Soc. 2002, 124:11262-11263.
    • (2002) J. Am. Chem. Soc. , vol.124 , pp. 11262-11263
    • Lopez, N.1    Nørskov, J.K.2
  • 26
    • 0141570926 scopus 로고    scopus 로고
    • Geometrical and electronic structures of gold, silver, and gold-silver binary clusters: origins of ductility of gold and gold-silver alloy formation
    • Lee H.M., Ge M., Sahu B.R., Tarakeshwar P., Kim K.S. Geometrical and electronic structures of gold, silver, and gold-silver binary clusters: origins of ductility of gold and gold-silver alloy formation. J. Phys. Chem. B 2003, 107:9994-10005.
    • (2003) J. Phys. Chem. B , vol.107 , pp. 9994-10005
    • Lee, H.M.1    Ge, M.2    Sahu, B.R.3    Tarakeshwar, P.4    Kim, K.S.5
  • 29
    • 85013968915 scopus 로고    scopus 로고
    • Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys
    • Curley B.C., Rossi G., Ferrando R., Johnston R.L. Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys. Eur. Phys. J. D. 2007, 43:53-56.
    • (2007) Eur. Phys. J. D. , vol.43 , pp. 53-56
    • Curley, B.C.1    Rossi, G.2    Ferrando, R.3    Johnston, R.L.4
  • 30
    • 42549166200 scopus 로고    scopus 로고
    • Energetic, electronic, and thermal effects on structural properties of Ag-Au nanoalloys
    • Chen F., Johnston R.L. Energetic, electronic, and thermal effects on structural properties of Ag-Au nanoalloys. ACS Nano 2007, 2:165-175.
    • (2007) ACS Nano , vol.2 , pp. 165-175
    • Chen, F.1    Johnston, R.L.2
  • 31
    • 38349133636 scopus 로고    scopus 로고
    • Martensitic transformations in Ag-Au bimetallic core-shell nanoalloys
    • Chen F., Johnston R.L. Martensitic transformations in Ag-Au bimetallic core-shell nanoalloys. Appl. Phys. Lett. 2008, 92:23112-23113.
    • (2008) Appl. Phys. Lett. , vol.92 , pp. 23112-23113
    • Chen, F.1    Johnston, R.L.2
  • 32
    • 85010244416 scopus 로고    scopus 로고
    • Structure, melting, and thermal stability of 55-atom Ag-Au nanoalloys
    • Chen, Curley B.C., Rossi G., Johnston R.L. Structure, melting, and thermal stability of 55-atom Ag-Au nanoalloys. J. Phys. Chem. C 2007, 111:9157-9165.
    • (2007) J. Phys. Chem. C , vol.111 , pp. 9157-9165
    • Chen1    Curley, B.C.2    Rossi, G.3    Johnston, R.L.4
  • 34
    • 84857212971 scopus 로고    scopus 로고
    • Dopant-induced 2D-3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au-Ag nanoalloys
    • Heiles S., Logsdail A.J., Schafer R., Johnston R.L. Dopant-induced 2D-3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au-Ag nanoalloys. Nanoscale 2012, 4:1109-1115.
    • (2012) Nanoscale , vol.4 , pp. 1109-1115
    • Heiles, S.1    Logsdail, A.J.2    Schafer, R.3    Johnston, R.L.4
  • 35
    • 0001489865 scopus 로고
    • Molecular geometry optimization with a genetic algorithm
    • Deaven D.M., Ho K.M. Molecular geometry optimization with a genetic algorithm. Phys. Rev. Lett. 1995, 75:288-291.
    • (1995) Phys. Rev. Lett. , vol.75 , pp. 288-291
    • Deaven, D.M.1    Ho, K.M.2
  • 36
    • 1642460094 scopus 로고    scopus 로고
    • Evolving better nanoparticles: genetic algorithms for optimising cluster geometries
    • Johnston R.L. Evolving better nanoparticles: genetic algorithms for optimising cluster geometries. Dalton Trans. 2003, 4193-4207.
    • (2003) Dalton Trans. , pp. 4193-4207
    • Johnston, R.L.1
  • 37
    • 6444227806 scopus 로고    scopus 로고
    • Genetic algorithms for the geometry optimization of atomic and molecular clusters
    • Zhao J., Xie R. Genetic algorithms for the geometry optimization of atomic and molecular clusters. J. Comput. Theor. Nanosci. 2004, 1:117-131.
    • (2004) J. Comput. Theor. Nanosci. , vol.1 , pp. 117-131
    • Zhao, J.1    Xie, R.2
  • 38
    • 8844271225 scopus 로고    scopus 로고
    • Application of evolutionary algorithms to global clusters geometry optimization
    • Hartke B. Application of evolutionary algorithms to global clusters geometry optimization. Struct. Bond. 2004, 110:33-53.
    • (2004) Struct. Bond. , vol.110 , pp. 33-53
    • Hartke, B.1
  • 39
    • 81155124988 scopus 로고    scopus 로고
    • Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search
    • Sai L., Tang L., Zhao J., Wang J., Kumar V. Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search. J. Chem. Phys. 2011, 135:184305-184309.
    • (2011) J. Chem. Phys. , vol.135 , pp. 184305-184309
    • Sai, L.1    Tang, L.2    Zhao, J.3    Wang, J.4    Kumar, V.5
  • 40
    • 34447260582 scopus 로고
    • An all-electron numerical method for solving the local density functional for polyatomic molecules
    • Delley B. An all-electron numerical method for solving the local density functional for polyatomic molecules. J. Chem. Phys. 1990, 92:508-517.
    • (1990) J. Chem. Phys. , vol.92 , pp. 508-517
    • Delley, B.1
  • 41
    • 0034319689 scopus 로고    scopus 로고
    • 3 approach
    • 3 approach. J. Chem. Phys. 2000, 113:7756-7764.
    • (2000) J. Chem. Phys. , vol.113 , pp. 7756-7764
    • Delley, B.1
  • 42
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew J.P., Burke K., Ernzerhof M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77:3865-3868.
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 43
    • 0003392735 scopus 로고
    • US Nat. Bureau Stand, Washington, DC
    • Moore C.E. Atomic Energy Levels 1958, US Nat. Bureau Stand, Washington, DC.
    • (1958) Atomic Energy Levels
    • Moore, C.E.1
  • 45
    • 37049078915 scopus 로고
    • Photoelectron spectroscopy of silver and palladium cluster anions. Electron delocalization versus, localization
    • Gantefor G., Gausa M., Meiwes-Broer K.H., Lutz H.O. Photoelectron spectroscopy of silver and palladium cluster anions. Electron delocalization versus, localization. J. Chem. Soc. Faraday Trans. 1990, 86:2483-2488.
    • (1990) J. Chem. Soc. Faraday Trans. , vol.86 , pp. 2483-2488
    • Gantefor, G.1    Gausa, M.2    Meiwes-Broer, K.H.3    Lutz, H.O.4
  • 46
    • 0005463563 scopus 로고
    • Photoelectron spectroscopy of metal cluster anions: Cun-,Agn-, and Aun-
    • Ho J. Photoelectron spectroscopy of metal cluster anions: Cun-,Agn-, and Aun-. J. Chem. Phys. 1990, 93:6987.
    • (1990) J. Chem. Phys. , vol.93 , pp. 6987
    • Ho, J.1
  • 47
    • 36449000057 scopus 로고
    • Ultraviolet photoelectron spectra of coinage metal clusters
    • Taylor K. Ultraviolet photoelectron spectra of coinage metal clusters. J. Chem. Phys. 1992, 96:3319.
    • (1992) J. Chem. Phys. , vol.96 , pp. 3319
    • Taylor, K.1
  • 49
    • 0035934262 scopus 로고    scopus 로고
    • Photoelectron spectroscopy of gold-silver binary cluster anions (AunAgm-; 2≤k≤4)
    • Negishi Y. Photoelectron spectroscopy of gold-silver binary cluster anions (AunAgm-; 2≤k≤4). J. Chem. Phys. 2001, 115:3657.
    • (2001) J. Chem. Phys. , vol.115 , pp. 3657
    • Negishi, Y.1
  • 50
    • 0142057634 scopus 로고
    • Clusters of transition-metal atoms
    • Morse M.D. Clusters of transition-metal atoms. Chem. Rev. 1986, 86:1049-1109.
    • (1986) Chem. Rev. , vol.86 , pp. 1049-1109
    • Morse, M.D.1
  • 51
    • 0001087347 scopus 로고
    • Mass spectrometric determination of the dissociation energies of the molecules AgAu, AgCu, and AuCu
    • Ackerman M. Mass spectrometric determination of the dissociation energies of the molecules AgAu, AgCu, and AuCu. J. Chem. Phys. 1960, 33:1784.
    • (1960) J. Chem. Phys. , vol.33 , pp. 1784
    • Ackerman, M.1
  • 52
    • 0037100924 scopus 로고    scopus 로고
    • Bonding in Cu, Ag, and Au clusters: relativistic effects, trends, and surprises
    • Häkkinen H., Moseler M., Landman U. Bonding in Cu, Ag, and Au clusters: relativistic effects, trends, and surprises. Phys. Rev. Lett. 2002, 89:033401.
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 033401
    • Häkkinen, H.1    Moseler, M.2    Landman, U.3


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