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Volumn 128, Issue 51, 2006, Pages 16701-16707

Molecular engineering of organic sensitizers for solar cell applications

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR ENGINEERING; ORGANIC SENSITIZERS; PHOTOCURRENT DENSITY; THIOPHENE;

EID: 33845932597     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066376f     Document Type: Article
Times cited : (785)

References (34)
  • 1
    • 33845925002 scopus 로고    scopus 로고
    • Special Issue: Michael Graetzel Festschrift. A tribute for this 60th Birthday: Dye Sensitized Solar Cells; Nazeeruddin, M. K., Ed.; Elsevier: Amsterdam. 2004; 248.
    • Special Issue: Michael Graetzel Festschrift. A tribute for this 60th Birthday: Dye Sensitized Solar Cells; Nazeeruddin, M. K., Ed.; Elsevier: Amsterdam. 2004; Vol. 248.
  • 25
    • 33845935237 scopus 로고    scopus 로고
    • Frisch, M. J.; et al. Gaussian 03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2004.
    • Frisch, M. J.; et al. Gaussian 03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2004.
  • 30
    • 33845916746 scopus 로고    scopus 로고
    • Characterization of the nature of the TDDFT transitions in terms of single orbital excitations is usually possible, provided one has access to the eigenvectors. The latter are made up of two component vectors, X and Y, related to single-particle excitations and de-excitations, respectively. In G03, however, the program only provides the (dominant) components of the sum vector X, Y, and it is thus impossible in principle to separate the interfering excitation and de-excitation components. To the extent, however, that we may reasonably assume that the de-excitation vector Y is small as compared to X it would exactly be zero in the Tamm-Dancoff or single excitation Cl approximation, we may take the square of the X, Y vector components as a qualitative measure of the weight pertaining to the corresponding single excitations
    • Characterization of the nature of the TDDFT transitions in terms of single orbital excitations is usually possible, provided one has access to the eigenvectors. The latter are made up of two component vectors, X and Y, related to single-particle excitations and de-excitations, respectively. In G03, however, the program only provides the (dominant) components of the sum vector X + Y, and it is thus impossible in principle to separate the interfering excitation and de-excitation components. To the extent, however, that we may reasonably assume that the de-excitation vector Y is small as compared to X (it would exactly be zero in the Tamm-Dancoff or single excitation Cl approximation), we may take the square of the X + Y vector components as a qualitative measure of the weight pertaining to the corresponding single excitations.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.