Single-Molecule Transport of Fullerene-Based Curcuminoids
Author
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Dulic, Diana
Author
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Rates, Alfredo
Author
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Castro, Edison
Author
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Labra Muñoz, Jacqueline
Author
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Aravena, Daniel
Author
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Etcheverry Berrios, Álvaro
Author
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Riba López, Daniel
Author
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Ruiz, Eliseo
Author
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Aliaga Alcalde, Núria
Author
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Soler Jauma, Mónica
Author
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Echegoyen, Luis
Author
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van der Zant, Herre S. J.
Admission date
dc.date.accessioned
2020-05-22T23:24:18Z
Available date
dc.date.available
2020-05-22T23:24:18Z
Publication date
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2020
Cita de ítem
dc.identifier.citation
J. Phys. Chem. C 2020, 124, 2698−2704
es_ES
Identifier
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10.1021/acs.jpcc.9b10166
Identifier
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https://repositorio.uchile.cl/handle/2250/174898
Abstract
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We present experimental and theoretical studies of single-molecule conductance through nonplanar fullerocurcuminoid molecular dyads in ambient conditions using the mechanically controllable break junction technique. We show that molecular dyads with bare fullerenes form configurations with conductance features related to different transport channels within the molecules, as identified with filtering and clustering methods. The primary channel corresponds to charge transport through the methylthio-terminated backbone. Additional low-conductance channels involve one backbone side and the fullerene. In fullerenes with four additional equatorial diethyl malonate groups attached to them, the latter transport pathway is blocked. Density functional theory calculations corroborate the experimental observations. In combination with nonequilibrium green functions, the conductance values of the fullerocurcuminoid backbones are found to be similar to those of a planar curcuminoid molecule without a fullerene attached. In the nonplanar fullerocurcuminoid systems, the highest-conductance peak occurs partly through space, compensating for the charge delocalization loss present in the curcuminoid system.
es_ES
Patrocinador
dc.description.sponsorship
European Commission (COST Action MOLSPIN)
CA1S128
European Commission (EU RISE (DAFNEOX) project)
SEP-210165479
Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT)
CONICYT FONDECYT
1181080
1161775
1170524
Fondequip
EQM140055
EQM180009
NLHPC
ECM -02
MICIIN
PGC2018-093863-B-C21
Maria de Maeztu Excellence grant
MDM-2017-0767
Generalitat de Catalunya
2017SGR1289
2017SGR1277
Netherlands Organization for Scientific Research (NWO)
Spanish Government
M.AT2016-778S2-C2-1-R
Severo Ochoa Program for Centers of Excellence in RD
SEV-2015-0496
European Research Council (ERC)
724981
National Science Foundation (NSF)
CHE-1801317
The Welch Foundation
AH-0033