메뉴 건너뛰기




Volumn 12, Issue 5, 2011, Pages 2972-2981

First-principles investigation of Ag-doped gold nanoclusters

Author keywords

Electronic structure; First principles; Gold clusters; Optical properties

Indexed keywords

GOLD; SILVER; METAL NANOPARTICLE;

EID: 79957852535     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12052972     Document Type: Article
Times cited : (31)

References (31)
  • 1
    • 33244457595 scopus 로고    scopus 로고
    • Cancer cell imaging and photothermal therapy in the near-infrared region by using gold nanorods
    • Huang, X.; El-Sayed, I.; Qian, W.; El-Sayed, M. Cancer cell imaging and photothermal therapy in the near-infrared region by using gold nanorods. J. Am. Chem. Soc. 2006, 128, 2115-2020.
    • (2006) J. Am. Chem. Soc , vol.128 , pp. 2020-2115
    • Huang, X.1    El-Sayed, I.2    Qian, W.3    El-Sayed, M.4
  • 2
    • 4644321604 scopus 로고    scopus 로고
    • The use of gold nanoparticles to enhance radiotherapy in mice
    • Hainfeld, J.; Slatkin, D.; Smilowitz, H. The use of gold nanoparticles to enhance radiotherapy in mice. Phys. Med. Biol. 2004, 49, N309-N315.
    • (2004) Phys. Med. Biol , vol.49
    • Hainfeld, J.1    Slatkin, D.2    Smilowitz, H.3
  • 3
    • 79551679901 scopus 로고    scopus 로고
    • Gold Nanostructure: Fabrication, Surface Modification, Targeting Imaging, and Enhanced Radiotherapy
    • Wu, D.; Zhang, X.; Liu, P.; Zhang, L.; Fan, F.; Guo, M. Gold Nanostructure: Fabrication, Surface Modification, Targeting Imaging, and Enhanced Radiotherapy. Curr. Nanosci. 2011, 7, 110-118.
    • (2011) Curr. Nanosci , vol.7 , pp. 110-118
    • Wu, D.1    Zhang, X.2    Liu, P.3    Zhang, L.4    Fan, F.5    Guo, M.6
  • 5
    • 79551678542 scopus 로고    scopus 로고
    • Toxicologic effects of gold nanoparticles in vivo by different administration routes
    • Zhang, X.; Wu, H. Toxicologic effects of gold nanoparticles in vivo by different administration routes. Int. J. Nanomed. 2010, 5, 771-781.
    • (2010) Int. J. Nanomed , vol.5 , pp. 771-781
    • Zhang, X.1    Wu, H.2
  • 7
    • 18144410597 scopus 로고    scopus 로고
    • Immunotargeted nanoshells for integrated cancer imaging and therapy
    • Loo, C.; Lowery, A.; Halas, N.; West, J.; Drezek, R. Immunotargeted nanoshells for integrated cancer imaging and therapy. Nano Lett. 2005, 5, 709-711.
    • (2005) Nano Lett , vol.5 , pp. 709-711
    • Loo, C.1    Lowery, A.2    Halas, N.3    West, J.4    Drezek, R.5
  • 8
    • 34249731526 scopus 로고    scopus 로고
    • Immuno gold nanocages with tailored optical properties for targeted photothermal destruction of cancer cells
    • Chen, J.; Wang, D.; Xi, J.; Au, L.; Siekkinen, A.; Warsen, A.; Li, Z.; Zhang, H.; Xia, Y.; Li, X. Immuno gold nanocages with tailored optical properties for targeted photothermal destruction of cancer cells. Nano. Lett. 2007, 7, 1318-1322.
    • (2007) Nano. Lett , vol.7 , pp. 1318-1322
    • Chen, J.1    Wang, D.2    Xi, J.3    Au, L.4    Siekkinen, A.5    Warsen, A.6    Li, Z.7    Zhang, H.8    Xia, Y.9    Li, X.10
  • 9
    • 19744382195 scopus 로고    scopus 로고
    • 2 Cluster: A Nanobullet for Tumors
    • Sun, Q.; Wang, Q.; Rao, B.; Jena, P. Electronic Structure and Bonding of Au on a SiO2 Cluster: A Nanobullet for Tumors. Phys. Rev. Lett. 2004, 93, 186803.
    • (2004) Phys. Rev. Lett , vol.93 , pp. 186803
    • Sun, Q.1    Wang, Q.2    Rao, B.3    Jena, P.4
  • 11
    • 33847666374 scopus 로고    scopus 로고
    • Size dependence of the structures and energetic and electronic properties of gold clusters
    • Li, X.; Wang, H.; Yang, X.; Zhu, Z.; Tang, Y. Size dependence of the structures and energetic and electronic properties of gold clusters. J. Chem. Phys. 2007, 126, 084505.
    • (2007) J. Chem. Phys , vol.126 , pp. 084505
    • Li, X.1    Wang, H.2    Yang, X.3    Zhu, Z.4    Tang, Y.5
  • 12
    • 33747885469 scopus 로고    scopus 로고
    • Transport properties of the Au32 cluster with fullerene symmetry
    • Zheng, X.; Shi, X.; Dai, Z.; Zeng, Z. Transport properties of the Au32 cluster with fullerene symmetry. Phys. Rev. B. 2006, 74, 85418.
    • (2006) Phys. Rev. B , vol.74 , pp. 85418
    • Zheng, X.1    Shi, X.2    Dai, Z.3    Zeng, Z.4
  • 13
    • 0037423317 scopus 로고    scopus 로고
    • Au20: A tetrahedral cluster
    • Li, J.; Li, X.; Zhai, H.; Wang, L. Au20: A tetrahedral cluster. Science 2003, 299, 864-867.
    • (2003) Science , vol.299 , pp. 864-867
    • Li, J.1    Li, X.2    Zhai, H.3    Wang, L.4
  • 14
    • 1842688132 scopus 로고    scopus 로고
    • Remarkable second-order optical nonlinearity of nano-sized Au20 cluster: A TDDFT study
    • Wu, K.; Li, J.; Lin, C. Remarkable second-order optical nonlinearity of nano-sized Au20 cluster: a TDDFT study. Chem. Phys. Lett. 2004, 388, 353-357.
    • (2004) Chem. Phys. Lett , vol.388 , pp. 353-357
    • Wu, K.1    Li, J.2    Lin, C.3
  • 15
    • 34547987470 scopus 로고    scopus 로고
    • 2 (n = 1~4) Clusters
    • Guo, J.J.; Yang, J.X.; Die, D. First Principle Calculation on AunAg2 (n = 1~4) Clusters. Commun. Theor. Phys. 2007, 48, 348-352.
    • (2007) Commun. Theor. Phys , vol.48 , pp. 348-352
    • Guo, J.J.1    Yang, J.X.2    Die, D.3
  • 16
    • 79955531877 scopus 로고    scopus 로고
    • Electronic structure and optical transitions of Au20-xCux nanoclusters
    • Zhang, X.D.; Guo, M.L. Electronic structure and optical transitions of Au20-xCux nanoclusters. J. Nanosci. Nanotechnol. 2010, 10, 7192-7195.
    • (2010) J. Nanosci. Nanotechnol , vol.10 , pp. 7192-7195
    • Zhang, X.D.1    Guo, M.L.2
  • 17
    • 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
    • Bona c̈ić-Koutecký, V.; Burda, J.; Mitri, 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
    • Bona c̈ić-Koutecký., V.1    Burda, J.2    Mitri, R.3    Ge, M.4    Zampella, G.5    Fantucci, P.6
  • 18
    • 77949767630 scopus 로고    scopus 로고
    • Observation of earlier two-to-three dimensional structural transition in gold cluster anions by isoelectronic substitution: MAu (n = 8-11; M = Ag, Cu)
    • Wang, L.; Pal, R.; Huang, W.; Zeng, X.; Wang, L. Observation of earlier two-to-three dimensional structural transition in gold cluster anions by isoelectronic substitution: MAu (n = 8-11; M = Ag, Cu). J. Chem. Phys. 2010, 132, 114306.
    • (2010) J. Chem. Phys , vol.132 , pp. 114306
    • Wang, L.1    Pal, R.2    Huang, W.3    Zeng, X.4    Wang, L.5
  • 19
    • 75149132748 scopus 로고    scopus 로고
    • Structures and the Electronic Properties of Au19X Clusters (X = Li, Na, K, Rb, Cs, Cu, and Ag)
    • Ghanty, T.; Banerjee, A.; Chakrabarti, A. Structures and the Electronic Properties of Au19X Clusters (X = Li, Na, K, Rb, Cs, Cu, and Ag). J. Phys. Chem. C 2009, 114, 20.
    • (2009) J. Phys. Chem. C , vol.114 , pp. 20
    • Ghanty, T.1    Banerjee, A.2    Chakrabarti, A.3
  • 20
    • 72949100714 scopus 로고    scopus 로고
    • Role of Ag-doping in small transition metal clusters from first-principles simulations
    • Li, S.; Shao, Z.; Han, S.; Xue, X.; Wang, F.; Sun, Q.; Jia, Y.; Guo, Z. Role of Ag-doping in small transition metal clusters from first-principles simulations. J. Chem. Phys. 2009, 131, 184301.
    • (2009) J. Chem. Phys , vol.131 , pp. 184301
    • Li, S.1    Shao, Z.2    Han, S.3    Xue, X.4    Wang, F.5    Sun, Q.6    Jia, Y.7    Guo, Z.8
  • 21
    • 36248979061 scopus 로고    scopus 로고
    • Static polarizabilities and optical absorption spectra of gold clusters (Aun, n = 2-14 and 20) from first principles
    • Idrobo, J.; Walkosz, W.; Yip, S.; Ög̈üt, S.; Wang, J.; Jellinek, J. Static polarizabilities and optical absorption spectra of gold clusters (Aun, n = 2-14 and 20) from first principles. Phys. Rev. B 2007, 76, 205422.
    • (2007) Phys. Rev. B , vol.76 , pp. 205422
    • Idrobo, J.1    Walkosz, W.2    Yip, S.3    Ög̈üt, S.4    Wang, J.5    Jellinek, J.6
  • 22
    • 41549108083 scopus 로고    scopus 로고
    • First-principles study of electronic and optical properties in wurtzite ZnCdO
    • Zhang, X.; Guo, M.; Li, W.; Liu, C. First-principles study of electronic and optical properties in wurtzite ZnCdO. J. Appl. Phys. 2008, 103, 063721.
    • (2008) J. Appl. Phys , vol.103 , pp. 063721
    • Zhang, X.1    Guo, M.2    Li, W.3    Liu, C.4
  • 23
    • 85010244249 scopus 로고    scopus 로고
    • Structure and spectral characteristics of the nanoalloy Ag3Au10
    • Chen, F.; Johnston, R. Structure and spectral characteristics of the nanoalloy Ag3Au10. Appl. Phys. Lett. 2007, 90, 153123.
    • (2007) Appl. Phys. Lett , vol.90 , pp. 153123
    • Chen, F.1    Johnston, R.2
  • 24
    • 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.; Ge, M.; Sahu, B.; Tarakeshwar, P.; Kim, K. 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.1    Ge, M.2    Sahu, B.3    Tarakeshwar, P.4    Kim, K.5
  • 25
    • 43949129766 scopus 로고    scopus 로고
    • Electronic and structural investigations of gold clusters doped with copper: AuCu (n = 13-19)
    • Zorriasatein, S.; Joshi, K.; Kanhere, D. Electronic and structural investigations of gold clusters doped with copper: AuCu (n = 13-19). J. Chem. Phys. 2008, 128, 184314.
    • (2008) J. Chem. Phys , vol.128 , pp. 184314
    • Zorriasatein, S.1    Joshi, K.2    Kanhere, D.3
  • 26
    • 84991328264 scopus 로고    scopus 로고
    • Global optimization of bimetallic cluster structures. II. Size-matched Ag-Pd, Ag-Au, and Pd-Pt systems
    • Rossi, G.; Ferrando, R.; Rapallo, A.; Fortunelli, A.; Curley, B.C.; Lloyd, L.D.; Johnston, R.L. Global optimization of bimetallic cluster structures. II. Size-matched Ag-Pd, Ag-Au, and Pd-Pt systems. J. Chem. Phys. 2005, 122, 194309.
    • (2005) J. Chem. Phys , vol.122 , pp. 194309
    • Rossi, G.1    Ferrando, R.2    Rapallo, A.3    Fortunelli, A.4    Curley, B.C.5    Lloyd, L.D.6    Johnston, R.L.7
  • 27
    • 85013968915 scopus 로고    scopus 로고
    • Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys
    • Curley, B.; Rossi, G.; Ferrando, R.; Johnston, R. 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.1    Rossi, G.2    Ferrando, R.3    Johnston, R.4
  • 28
    • 11944256577 scopus 로고
    • Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients
    • Payne, M.; Teter, M.; Allan, D.; Arias, T.; Joannopoulos, J. Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients. Rev. Mod. Phys. 1992, 64, 1045-1097.
    • (1992) Rev. Mod. Phys , vol.64 , pp. 1045-1097
    • Payne, M.1    Teter, M.2    Allan, D.3    Arias, T.4    Joannopoulos, J.5
  • 29
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77, 3865.
    • (1996) Phys. Rev. Lett , vol.77 , pp. 3865
    • Perdew, J.1    Burke, K.2    Ernzerhof, M.3
  • 30
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst, H.; Pack, J. Special points for Brillouin-zone integrations. Phys. Rev. B 1976, 13, 5188.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.1    Pack, J.2
  • 31
    • 47249107716 scopus 로고    scopus 로고
    • Electronic and optical properties of TiCdO: A first-principles prediction
    • Zhang, X.; Guo, M.; Liu, C.; Li, W.; Hong, X. Electronic and optical properties of TiCdO: A first-principles prediction. Appl. Phys. Lett. 2008, 93, 012103.
    • Appl. Phys. Lett , vol.93 , pp. 2008
    • Zhang, X.1    Guo, M.2    Liu, C.3    Li, W.4    Hong, X.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.