A fullerene silirane derivative to improve the open circuit voltage in a polymer-fullerene solar cell: A theoretical study

TitleA fullerene silirane derivative to improve the open circuit voltage in a polymer-fullerene solar cell: A theoretical study
Publication TypeArticolo su Rivista peer-reviewed
Year of Publication2008
AuthorsMorvillo, P., and Bobeico E.
JournalPhysica Status Solidi - Rapid Research Letters
Volume2
Pagination260-262
ISSN18626254
KeywordsBulk heterojunction solar cells, Derivatives, Electron acceptor, Energy level, Frontier orbitals, fullerene derivative, Fullerenes, Heterojunctions, Lowest unoccupied molecular orbital, Molecular orbitals, Open circuit voltage, Photovoltaic devices, Polymer Solar Cells, Polymer-fullerene, Polymers, Quantum chemical calculations, Reduction potential, Solar cells, Solar energy, theoretical study
Abstract

In this letter quantum chemical calculations are performed on fullerene derivatives with varying reduction potentials, successfully used as electron acceptor in bulk heterojunction solar cells with the aim to investigate the energy levels of the frontier orbitals. We have successfully correlated the theoretical lowest unoccupied molecular orbital (LUMO) levels of different fullerenes with the open circuit voltage of the photovoltaic device based on the polymer-fullerene blend. We have also proposed a new fullerene silirane derivative with a raised LUMO level useful to increase the open circuit voltage of a polymer solar cell. © 2008 WILEY-VCH Verlag GmbH&Co. KGaA, Weinheim.

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URLhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-70449629568&doi=10.1002%2fpssr.200802136&partnerID=40&md5=2367c19895a65a4c1db5b6a7789f5096
DOI10.1002/pssr.200802136