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Volumn 15, Issue 42, 2013, Pages 18471-18481

Computational design of concomitant type-I and type-II porphyrin sensitized solar cells

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EID: 84885625708     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c3cp53193g     Document Type: Article
Times cited : (48)

References (64)
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    • For a review on the origin of exciton splitting in J and H aggregates, see
    • S. Verma H. N. Ghosh J. Phys. Chem. Lett. 2012 3 1877
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 1877
    • Verma, S.1    Ghosh, H.N.2
  • 52
    • 73449099651 scopus 로고    scopus 로고
    • Highest KS = -IE (Ionization energy). Nevertheless, since computations on reasonably sized molecules are invariably performed using hybrid DFT, the estimates of IE from Koopmans' approximation are rather poor. Nevertheless, recent progress in the development of optimally-tuned range-separated hybrid (RSH) functionals
    • U. Salzner R. Baer J. Chem. Phys. 2009 131 231101
    • (2009) J. Chem. Phys. , vol.131 , pp. 231101
    • Salzner, U.1    Baer, R.2
  • 58
    • 19844373393 scopus 로고
    • Ti) = 1/2(0.73 + 1.36) ∼ 1.0 Å), something which is impractical in the current state-of-the-art
    • L. E. Brus J. Chem. Phys. 1984 80 4403
    • (1984) J. Chem. Phys. , vol.80 , pp. 4403
    • Brus, L.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.