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Volumn 160, Issue 7-8, 2010, Pages 643-650

Dipole assisted exciton dissociation at conjugated polymer/fullerene photovoltaic interfaces: A molecular study using density functional theory calculations

Author keywords

Donor acceptor complexes; Exciton dissociation; Organic photovoltaics

Indexed keywords

ANALYTICAL MODEL; BARRIER HEIGHTS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON HOLE PAIRS; ELECTRON TRANSFER; EXCITON DISSOCIATION; HIGH EFFICIENCY; HOLE TRANSFER; ORGANIC PHOTOVOLTAICS; PERMANENT DIPOLES; POLYMER BACKBONES; SUPRAMOLECULES;

EID: 77949653255     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2009.12.026     Document Type: Article
Times cited : (100)

References (38)
  • 10
    • 77949656361 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Groningen
    • S.C. Veenstra, Ph.D. Thesis, University of Groningen, 2002.
    • (2002)
    • Veenstra, S.C.1
  • 27
    • 77949654773 scopus 로고    scopus 로고
    • VERSION
    • http://www.msg.ameslab.gov/GAMESS/, VERSION 2007 (R1).
    • (2007) , Issue.R1
  • 34
    • 77949658448 scopus 로고    scopus 로고
    • We have also calculated the total energy of the complex as a function of the distance between the fullerene and the polymer that confirmed a minimum energy at around 3.5 Å for both (PF and HF) configurations
    • We have also calculated the total energy of the complex as a function of the distance between the fullerene and the polymer that confirmed a minimum energy at around 3.5 Å for both (PF and HF) configurations.
  • 35
    • 77949654052 scopus 로고    scopus 로고
    • Those results were obtained by analysing the coeficients of the supramolecular orbitals expansion as a function of the wave functions of each atom in the complex with the help of the EastChem code at http://www.wiki.ed.ac.uk/display/EaStCHEMresearchwiki.
    • Those results were obtained by analysing the coeficients of the supramolecular orbitals expansion as a function of the wave functions of each atom in the complex with the help of the EastChem code at http://www.wiki.ed.ac.uk/display/EaStCHEMresearchwiki.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.