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Volumn 976, Issue 1-3, 2011, Pages 183-187

Exploring stability of 32-atom gold-silver mixed clusters

Author keywords

Au32 nAgn (n=1 31) clusters; Density functional theory; Hollow cage like configurations; Space filling structures

Indexed keywords


EID: 84555202730     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.08.023     Document Type: Article
Times cited : (8)

References (32)
  • 1
    • 37249089714 scopus 로고    scopus 로고
    • Gold nanoparticles: interesting optical properties and recent applications in cancer diagnostics and therapy
    • Huang X., Jain P.K., El-Sayed I.H., El-Sayed M.A. Gold nanoparticles: interesting optical properties and recent applications in cancer diagnostics and therapy. Nanomedicine 2007, 2:681-693.
    • (2007) Nanomedicine , vol.2 , pp. 681-693
    • Huang, X.1    Jain, P.K.2    El-Sayed, I.H.3    El-Sayed, M.A.4
  • 2
    • 51149101216 scopus 로고    scopus 로고
    • Identification of active gold nanoclusters on iron oxide supports for CO oxidation
    • Herzing A.A., Kiely C.J., Carley A.F., Landon P., Hutchings G.J. Identification of active gold nanoclusters on iron oxide supports for CO oxidation. Science 2008, 321:331-1335.
    • (2008) Science , vol.321 , pp. 331-1335
    • Herzing, A.A.1    Kiely, C.J.2    Carley, A.F.3    Landon, P.4    Hutchings, G.J.5
  • 3
    • 84555176114 scopus 로고    scopus 로고
    • Ab initio study of AunIr (n=1-8) clusters
    • Yang J.X., Guo J.J., Die D. Ab initio study of AunIr (n=1-8) clusters. Comput. Theor. Chem. 2011, 963:435-438.
    • (2011) Comput. Theor. Chem. , vol.963 , pp. 435-438
    • Yang, J.X.1    Guo, J.J.2    Die, D.3
  • 4
    • 84555182368 scopus 로고    scopus 로고
    • Metal encapsulation mediated planar to three dimensional structural transformation in Au-clusters: the venus flytrap effect
    • Nijamudheen A., Jose D., Datta A. Metal encapsulation mediated planar to three dimensional structural transformation in Au-clusters: the venus flytrap effect. Comput. Theor. Chem. 2011, 966:133-136.
    • (2011) Comput. Theor. Chem. , vol.966 , pp. 133-136
    • Nijamudheen, A.1    Jose, D.2    Datta, A.3
  • 5
    • 77549084307 scopus 로고    scopus 로고
    • Odd-even oscillations in structural and optical properties of gold clusters
    • Nijamudheen A., Datta A. Odd-even oscillations in structural and optical properties of gold clusters. J. Mol. Struct. (Theochem) 2010, 945:93-96.
    • (2010) J. Mol. Struct. (Theochem) , vol.945 , pp. 93-96
    • Nijamudheen, A.1    Datta, A.2
  • 7
    • 62149094714 scopus 로고    scopus 로고
    • Coating of a layer of Au on Al13: the findings of icosahedral Al@Al12Au20- and Al12Au20- fullerenes using ab initio pseudopotential calculations
    • Kumar V. Coating of a layer of Au on Al13: the findings of icosahedral Al@Al12Au20- and Al12Au20- fullerenes using ab initio pseudopotential calculations. Phys. Rev. B 2009, 79:085423:1-5.
    • (2009) Phys. Rev. B , vol.79
    • Kumar, V.1
  • 9
    • 27744437032 scopus 로고    scopus 로고
    • Experimental and theoretical investigation of the electronic and geometrical structures of the Au32 cluster
    • Ji M., Gu X., Li X., Gong X., Li J., Wang L.S. Experimental and theoretical investigation of the electronic and geometrical structures of the Au32 cluster. Angew. Chem. Int. Ed. 2005, 44:7119-7123.
    • (2005) Angew. Chem. Int. Ed. , vol.44 , pp. 7119-7123
    • Ji, M.1    Gu, X.2    Li, X.3    Gong, X.4    Li, J.5    Wang, L.S.6
  • 11
    • 0037174405 scopus 로고    scopus 로고
    • Catalytic CO oxidation by a gold nanoparticle: a density functional study
    • Lopez N., Norskov 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    Norskov, J.K.2
  • 12
    • 0036236304 scopus 로고    scopus 로고
    • Self-assembled organic nanotubes and self-synthesized silver subnanowire arrays in an ambient solution phase
    • Kim K.S. Self-assembled organic nanotubes and self-synthesized silver subnanowire arrays in an ambient solution phase. Curr. Appl. Phys. 2002, 2:65-69.
    • (2002) Curr. Appl. Phys. , vol.2 , pp. 65-69
    • Kim, K.S.1
  • 13
    • 0035934262 scopus 로고    scopus 로고
    • Photoelectron spectroscopy of gold-silver binary cluster anions (AunAgm-, 2≤n+m≤4)
    • Negishi Y., Nakajima Y., Kaya K. Photoelectron spectroscopy of gold-silver binary cluster anions (AunAgm-, 2≤n+m≤4). J. Chem. Phys. 2001, 115:3657-3663.
    • (2001) J. Chem. Phys. , vol.115 , pp. 3657-3663
    • Negishi, Y.1    Nakajima, Y.2    Kaya, K.3
  • 14
    • 0000443415 scopus 로고    scopus 로고
    • Cu-Au, Ag-Au, Cu-Ag, and Ni-Au intermetallics: first-principles study of temperature-composition phase diagrams and structures
    • Ozolins V., Wolverton C., Zunger A. Cu-Au, Ag-Au, Cu-Ag, and Ni-Au intermetallics: first-principles study of temperature-composition phase diagrams and structures. Phys. Rev. B 1998, 57:6427-6443.
    • (1998) Phys. Rev. B , vol.57 , pp. 6427-6443
    • Ozolins, V.1    Wolverton, C.2    Zunger, A.3
  • 15
    • 23744513630 scopus 로고    scopus 로고
    • Thermodynamic properties of AuyAgx bimetallic clusters through the evolutive ensemble
    • Michaelian K., Garzón I.L. Thermodynamic properties of AuyAgx bimetallic clusters through the evolutive ensemble. Eur. Phys. J. D 2005, 34:183-186.
    • (2005) Eur. Phys. J. D , vol.34 , pp. 183-186
    • Michaelian, K.1    Garzón, I.L.2
  • 16
    • 0037103787 scopus 로고    scopus 로고
    • Density functional study of structural and electronic properties of bimetallic silver-gold clusters: comparison with pure gold and silver clusters
    • Bonacić-Koutecký V., Burda J., Mitrić R., Ge M., Zampella G., Fantucci P. Density functional study of structural and electronic properties of bimetallic silver-gold clusters: comparison with pure gold and silver clusters. J. Chem. Phys. 2002, 117:3120-3131.
    • (2002) J. Chem. Phys. , vol.117 , pp. 3120-3131
    • Bonacić-Koutecký, V.1    Burda, J.2    Mitrić, R.3    Ge, M.4    Zampella, G.5    Fantucci, P.6
  • 17
    • 42549166200 scopus 로고    scopus 로고
    • Energetic, electronic, and thermal effects on structural properties of Ag-Au nanoalloys
    • Chen F.Y., Johnston R.L. Energetic, electronic, and thermal effects on structural properties of Ag-Au nanoalloys. ACS Nano 2008, 2:165-175.
    • (2008) ACS Nano , vol.2 , pp. 165-175
    • Chen, F.Y.1    Johnston, R.L.2
  • 18
    • 38349133636 scopus 로고    scopus 로고
    • Martensitic transformations in Ag-Au bimetallic core-shell nanoalloys
    • Chen F.Y., Johnston R.L. Martensitic transformations in Ag-Au bimetallic core-shell nanoalloys. Appl. Phys. Lett. 2008, 92:023112:1-023112:3.
    • (2008) Appl. Phys. Lett. , vol.92
    • Chen, F.Y.1    Johnston, R.L.2
  • 19
    • 85010244416 scopus 로고    scopus 로고
    • Structure, melting, and thermal stability of 55 atom Ag-Au nanoalloys
    • Chen F.Y., 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
    • Chen, F.Y.1    Curley, B.C.2    Rossi, G.3    Johnston, R.L.4
  • 20
    • 85010244249 scopus 로고    scopus 로고
    • Structure and spectral characteristics of the nanoalloy Ag3Au10
    • Chen F.Y., Johnston R.L. Structure and spectral characteristics of the nanoalloy Ag3Au10. Appl. Phys. Lett. 2007, 90:153123:1-153123:3.
    • (2007) Appl. Phys. Lett. , vol.90
    • Chen, F.Y.1    Johnston, R.L.2
  • 21
    • 85013899080 scopus 로고    scopus 로고
    • Charge transfer driven surface segregation of gold atoms in 13-atom Au-Ag nanoalloys and its relevance to their structural, optical and electronic properties
    • Chen F.Y., Johnston R.L. Charge transfer driven surface segregation of gold atoms in 13-atom Au-Ag nanoalloys and its relevance to their structural, optical and electronic properties. Acta Materialia 2008, 56:2374-2380.
    • (2008) Acta Materialia , vol.56 , pp. 2374-2380
    • Chen, F.Y.1    Johnston, R.L.2
  • 22
    • 85013968915 scopus 로고    scopus 로고
    • Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys
    • Curly 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
    • Curly, B.C.1    Rossi, G.2    Ferrando, R.3    Johnston, R.L.4
  • 23
    • 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
  • 24
    • 84898889606 scopus 로고
    • Long-range Finnis-Sinclair potentials
    • Sutton A.P., Chen J. Long-range Finnis-Sinclair potentials. Philos. Mag. Lett. 1990, 61:139-146.
    • (1990) Philos. Mag. Lett. , vol.61 , pp. 139-146
    • Sutton, A.P.1    Chen, J.2
  • 26
    • 27544462397 scopus 로고    scopus 로고
    • Hollow cages versus space-filling structures for medium-sized gold clusters: the spherical aromaticity of the Au50 cage
    • Wang J., Jellinek J., Zhao J., Chen Z., King R.B., Schleyer P.v.R. Hollow cages versus space-filling structures for medium-sized gold clusters: the spherical aromaticity of the Au50 cage. J. Phys. Chem. A 2005, 109:9265-9269.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 9265-9269
    • Wang, J.1    Jellinek, J.2    Zhao, J.3    Chen, Z.4    King, R.B.5    Schleyer, P.6
  • 27
    • 33846961846 scopus 로고    scopus 로고
    • Dual relationship between large gold clusters (antifullerenes) and carbon fullerenes: a new lowest-energy cage structure for Au50
    • Tian D.X., Zhao J.J., Wang B.L., King R.B. Dual relationship between large gold clusters (antifullerenes) and carbon fullerenes: a new lowest-energy cage structure for Au50. J. Phys. Chem. A 2007, 111:411-414.
    • (2007) J. Phys. Chem. A , vol.111 , pp. 411-414
    • Tian, D.X.1    Zhao, J.J.2    Wang, B.L.3    King, R.B.4
  • 28
    • 0034319689 scopus 로고    scopus 로고
    • From molecules to solids with the DMol3 approach
    • Delley B. From molecules to solids with the DMol3 approach. J. Chem. Phys. 2000, 113:7756-7764.
    • (2000) J. Chem. Phys. , vol.113 , pp. 7756-7764
    • Delley, B.1
  • 30
    • 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
  • 31
    • 0001263399 scopus 로고
    • Spin scaling of the electron-gas correlation energy in the high-density limit
    • Wang Y., Perdew J.P. Spin scaling of the electron-gas correlation energy in the high-density limit. Phys. Rev. B 1991, 43:8911-8916.
    • (1991) Phys. Rev. B , vol.43 , pp. 8911-8916
    • Wang, Y.1    Perdew, J.P.2


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