Theoretical study of aromatic-antiaromatic pairs as material in organic solar cells of double light harvesting

被引：3

作者：

Martinez, Ivan ^{[1
,2
]}

Schott, Eduardo

Chavez, Ivonne ^{[1
]}

Manuel Manriquez, Juan ^{[1
,2
]}

Zarate, Ximena ^{[3
]}

机构：

[1] Pontificia Univ Catolica Chile, Fac Quim, Dept Quim Inorgan, Avda Vicuna Mackenna 4860, Santiago, Chile

[2] Univ Bernardo O Higgins, Lab Bionanotecnol, Gen Gana 1780, Santiago, Chile

[3] Univ Autonoma Chile, Fac Ingn, Inst Ciencias Quim Aplicadas, Av Pedro Valdivia 641, Santiago, Chile

来源：

CHEMICAL PHYSICS LETTERS | 2016年 / 659卷

关键词：

Organic solar cells; DFT; Indacene; Reorganization energy; DEHYDROGENATIVE SILYLATION; PHOTOVOLTAIC CELLS; S-INDACENE; DERIVATIVES; OFFSETS;

D O I：

10.1016/j.cplett.2016.06.079

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Molecular light harvesting components of organic solar cells containing antiaromatic and aromatic molecules as organic semiconductors were studied. We found that antiaromatic molecules with indacene core can act as acceptors looking for new options to assemble donor/acceptor interfaces. This is supported by their properties such as molecular orbitals energies, rigid fused core that could promote pi-pi intermolecular interactions imparting ordered nanostructures, that let high charge mobility thanks to their properly low reorganization energy and the optimum energy offsets of the donor/acceptor interfaces. It was found that pentacene might be an excellent donor and the benzo[g]benz[6,7]indeno[1,2-b]fluorene could act as an acceptor. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：31 / 35

页数：5

共 38 条

[1] Catalytic study of heterobimetallic rhodium complexes derived from partially alkylated s-indacene in dehydrogenative silylation of olefins
Adams, C.
Riviere, P.
Riviere-Baudet, M.
Morales-Verdejo, C.
Dahrouch, M.
Morales, V.
Castel, A.
Delpech, F.
Manriquez, J. M.
Chavez, I.
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2014, 749 : 266 - 274
[2] Computational studies of charge transfer in organic solar photovoltaic cells: A review
Agnihotri, Neha
[J]. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS, 2014, 18 : 18 - 31
[3] Synthesis, characterization and structure of diiron organometallic derivatives of 2,9-dimethyl-1,10-dihydro-dicyclopenta[a,h]naphthalene
Amshumali, MK
Chávez, I
Arancibia, V
Burgos, F
Manríquez, JM
Molins, E
Roig, A
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2005, 690 (05) : 1340 - 1349
[4] Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives
Barboza, Cristina A.
Barboza, Ezequiel
Arratia-Perez, Ramiro
MacLeod Carey, Desmond
[J]. CHEMICAL PHYSICS LETTERS, 2012, 545 : 88 - 94
[5] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
BECKE, AD
[J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
[6] Molecular Understanding of Organic Solar Cells: The Challenges
Bredas, Jean-Luc
Norton, Joseph E.
Cornil, Jerome
Coropceanu, Veaceslav
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 2009, 42 (11) : 1691 - 1699
[7] Pushing the Envelope of the Intrinsic Limitation of Organic Solar Cells
Camaioni, Nadia
Po, Riccardo
[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2013, 4 (11): : 1821 - 1828
[8] Indeno[1,2-b]fluorenes: Fully Conjugated Antiaromatic Analogues of Acenes
Chase, Daniel T.
Rose, Bradley D.
McClintock, Sean P.
Zakharov, Lev N.
Haley, Michael M.
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2011, 50 (05) : 1127 - 1130
[9] Charge Photogeneration in Organic Solar Cells
Clarke, Tracey M.
Durrant, James R.
[J]. CHEMICAL REVIEWS, 2010, 110 (11) : 6736 - 6767
[10] Regio- and stereo-selectivity in the silylation of 2,6-diethyl-3,4,7,8-tetramethyl-1,5-dihydro-s-indacene
Dahrouch, M.
Burgos, F.
Castel, A.
Chavez, I.
Gornitzka, H.
Manriquez, J. M.
Riviere, P.
Riviere-Baudet, M.
Alvarez, J.
Onyszchuk, M.
[J]. APPLIED ORGANOMETALLIC CHEMISTRY, 2007, 21 (01) : 31 - 38

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