Ab initio and DFT theoretical investigations on novel porphyrin-fullerene supramolecular dyads for photovoltaic devices

Journal of Theoretical and Computational Chemistry

Volumn 7, Issue 5, 2008, Pages 1055-1069

  Manna, Tapas ^a   Bhattacharya, Sumanta ^a  

^a UNIVERSITY OF BURDWAN   (India)

Author keywords

Ab initio and density functional theory calculations; H2 (1) and Zn tetraphenylporphyrin 60 fullerene (2) dyads; HOMO LUMO energy gap; Molecular electrostatic potential maps

Indexed keywords

EID: 57249084630     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633608004325     Document Type: Article

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