A theoretical study of substituted indeno[1,2-b]fluorene compounds and their possible applications in solar cells

dc.contributor.author	Martinez I.
dc.contributor.author	Zarate X.
dc.contributor.author	Schott E.
dc.contributor.author	Morales-Verdejo C.
dc.contributor.author	Castillo F.
dc.contributor.author	Manríquez J.M.
dc.contributor.author	Chávez I.
dc.date.accessioned	2020-09-02T22:22:23Z
dc.date.available	2020-09-02T22:22:23Z
dc.date.issued	2015
dc.identifier	10.1016/j.cplett.2015.06.085
dc.identifier.citation	636, , 31-34
dc.identifier.issn	00092614
dc.identifier.uri	https://hdl.handle.net/20.500.12728/5216
dc.description	This contribution mainly describes the theoretical computations based on density functional theory (DFT), of the anti-aromatic system indeno[1,2-b]fluorene with the aim of understanding the electronic effects of the substituting electron donating and electron withdrawing groups in the 6,12-positions, to investigate their potential role as sensitizers in solar cells devices. Ground state potential energy surfaces were obtained employing the B3LYP/6-31+G(d,p) theoretical level. The low energy electronic transitions were investigated through the TD-DFT method. It was possible to conclude that indeno[1,2-b]fluorine with NH<inf>2</inf>, NO<inf>2</inf>, CN substituents are the best candidates to act as light harvesting and sensitizers in solar cells. © 2015 Elsevier B.V. All rights reserved.
dc.language.iso	en
dc.publisher	Elsevier
dc.title	A theoretical study of substituted indeno[1,2-b]fluorene compounds and their possible applications in solar cells
dc.type	Article

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