메뉴 건너뛰기




Volumn 134, Issue 6, 2011, Pages

The fate of optical excitations in small polyhedral ZnS clusters: A theoretical study of the excitation and localization of electrons in Zn 4S4 and Zn6S6

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATED WAVE FUNCTIONS; EXCHANGE-CORRELATION POTENTIAL; EXCITED-STATE ENERGY; EXCITED-STATE GEOMETRIES; JAHN TELLER DISTORTIONS; NUMERICAL PROBLEMS; OPTICAL ABSORPTION; OPTICAL EXCITATIONS; POLYHEDRAL CLUSTERS; SULFIDE CLUSTERS; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATIONAL NORMAL MODES;

EID: 79951794826     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3536501     Document Type: Article
Times cited : (19)

References (61)
  • 1
    • 0012392952 scopus 로고    scopus 로고
    • Semiconductor nanocrystals as fluorescent biological labels
    • DOI 10.1126/science.281.5385.2013
    • M. Bruchez, M. Moronne, P. Gin, S. Weiss, and A. P. Alivisatos, Science 281, 2013 (1998). 10.1126/science.281.5385.2013 (Pubitemid 28475485)
    • (1998) Science , vol.281 , Issue.5385 , pp. 2013-2016
    • Bruchez Jr., M.1    Moronne, M.2    Gin, P.3    Weiss, S.4    Alivisatos, A.P.5
  • 2
    • 34548580360 scopus 로고    scopus 로고
    • Quantum dots: A quantum jump for molecular imaging?
    • DOI 10.2967/jnumed.107.042069
    • K. H. Lee, J. Nucl. Med. 48, 1408 (2007). 10.2967/jnumed.107.042069 (Pubitemid 47397387)
    • (2007) Journal of Nuclear Medicine , vol.48 , Issue.9 , pp. 1408-1410
    • Lee, K.-H.1
  • 3
    • 41949108948 scopus 로고    scopus 로고
    • 10.1177/0192623307310950
    • T. J. Deerinck, Toxicol. Pathol. 36, 112 (2008). 10.1177/0192623307310950
    • (2008) Toxicol. Pathol. , vol.36 , pp. 112
    • Deerinck, T.J.1
  • 5
    • 34547219367 scopus 로고    scopus 로고
    • High efficiency of CdSe quantum-dot-sensitized Ti O2 inverse opal solar cells
    • DOI 10.1063/1.2757130
    • L. J. Diguna, Q. Shen, J. Kobayashi, and T. Toyoda, Appl. Phys. Lett. 91, 023116 (2007). 10.1063/1.2757130 (Pubitemid 47114783)
    • (2007) Applied Physics Letters , vol.91 , Issue.2 , pp. 023116
    • Diguna, L.J.1    Shen, Q.2    Kobayashi, J.3    Toyoda, T.4
  • 15
    • 0037159393 scopus 로고    scopus 로고
    • Adiabatic time-dependent density functional methods for excited state properties
    • DOI 10.1063/1.1508368
    • F. Furche and R. Ahlrichs, J. Chem. Phys. 117, 7433 (2002). 10.1063/1.1508368 (Pubitemid 35354307)
    • (2002) Journal of Chemical Physics , vol.117 , Issue.16 , pp. 7433-7447
    • Furche, F.1    Ahlrichs, R.2
  • 16
    • 18144369730 scopus 로고    scopus 로고
    • Erratum: Time-dependent density functional methods for excited state properties (Journal Chemistry of Physics (2002) 117 (7433))
    • DOI 10.1063/1.1824903
    • F. Furche and R. Ahlrichs, J. Chem. Phys. 121, 12722 (2004). 10.1063/1.1824903 (Pubitemid 41041633)
    • (2004) Journal of Chemical Physics , vol.121 , Issue.24 , pp. 12772-12773
    • Furche, F.1    Ahlrichs, R.2
  • 19
    • 33947596445 scopus 로고    scopus 로고
    • Unusual size dependence of the optical emission gap in small hydrogenated silicon nanoparticles
    • DOI 10.1063/1.2715101
    • X. Wang, R. Q. Zhang, S. T. Lee, T. A. Niehaus, and Th. Frauenheim, Appl. Phys. Lett. 90, 123116 (2007). 10.1063/1.2715101 (Pubitemid 46482274)
    • (2007) Applied Physics Letters , vol.90 , Issue.12 , pp. 123116
    • Wang, X.1    Zhang, R.Q.2    Lee, S.T.3    Niehaus, T.A.4    Frauenheim, Th.5
  • 29
    • 0033906703 scopus 로고    scopus 로고
    • Structure and stability of monodisperse 1.4-nm ZnS particles stabilized by mercaptoethanol
    • DOI 10.1021/la9910071
    • W. Vogel, P. H. Borse, N. Deskmukh, and S. K. Kulkarni, Langmuir 16, 2032 (2000). 10.1021/la9910071 (Pubitemid 30590658)
    • (2000) Langmuir , vol.16 , Issue.4 , pp. 2032-2037
    • Vogel, W.1    Borse, P.H.2    Deshmukh, N.3    Kulkarni, S.K.4
  • 31
    • 34547657418 scopus 로고    scopus 로고
    • Synthesis and characterization of shaped ZnS nanocrystals in water in oil microemulsions
    • DOI 10.1016/j.matlet.2007.02.012, PII S0167577X07001449
    • D. J. Jovanovic, I. L. Validzic, I. A. Jankovic, N. Bibic, and J. M. Nedeljkovic, Mater. Lett. 61, 4396 (2007). 10.1016/j.matlet.2007.02.012 (Pubitemid 47214583)
    • (2007) Materials Letters , vol.61 , Issue.22 , pp. 4396-4399
    • Jovanovic, D.J.1    Lj.Validzic, I.2    Jankovic, I.A.3    Bibic, N.4    Nedeljkovic, J.M.5
  • 42
    • 33747831923 scopus 로고    scopus 로고
    • Computational study of the relative stabilities of ZnS clusters, for sizes between 1 and 4 nm
    • DOI 10.1016/j.jcrysgro.2006.05.024, PII S0022024806005124
    • S. Hamad and C. R. A. Catlow, J. Cryst. Growth 294, 2 (2006). 10.1016/j.jcrysgro.2006.05.024 (Pubitemid 44286879)
    • (2006) Journal of Crystal Growth , vol.294 , Issue.1 , pp. 2-8
    • Hamad, S.1    Catlow, C.R.A.2
  • 47
    • 0000189651 scopus 로고
    • 10.1063/1.464913
    • A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 49
    • 34250817103 scopus 로고
    • 10.1063/1.464304
    • A. D. Becke, J. Chem. Phys. 98, 1372 (1993). 10.1063/1.464304
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1
  • 51
    • 24144464461 scopus 로고    scopus 로고
    • Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn
    • DOI 10.1063/1.1998907, 064107
    • N. B. Balabanov and K. A. Peterson, J. Chem. Phys. 123, 064107 (2005). 10.1063/1.1998907 (Pubitemid 41235438)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.6 , pp. 1-15
    • Balabanov, N.B.1    Peterson, K.A.2
  • 52
    • 26244461462 scopus 로고    scopus 로고
    • Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
    • DOI 10.1039/b508541a
    • F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005). 10.1039/b508541a (Pubitemid 41412231)
    • (2005) Physical Chemistry Chemical Physics , vol.7 , Issue.18 , pp. 3297-3305
    • Weigend, F.1    Ahlrichs, R.2
  • 54
    • 0037109578 scopus 로고    scopus 로고
    • Transition moments and excited-state first-order properties in the coupled-cluster model CC2 using the resolution-of-the-identity approximation
    • DOI 10.1063/1.1506918
    • C. Httig and A. Khn, J. Chem. Phys. 117, 6939 (2002). 10.1063/1.1506918 (Pubitemid 35358839)
    • (2002) Journal of Chemical Physics , vol.117 , Issue.15 , pp. 6939-6951
    • Hattig, C.1    Kohn, A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.