Organic photovoltaics: a chemical approach

Delgado, Juan Luis; Bouit, Pierre‐Antoine; Filippone, Salvatore; Herranz, M. Ángeles; Martín, Nazario

doi:10.1039/c003088k

Cited by 364 publications

(272 citation statements)

References 127 publications

(104 reference statements)

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“…[1][2][3][4][5][6][7][8] The interest in fullerene DSSCs is mainly due to the fact that they are a low-cost replacement for silicon-based solar cells and they are associated to profitable manufacturing and negligible toxicity. [9][10][11][12][13][14] The reference system for fullerene DSSCs is the blend of poly(3-hexylthiophene) (P3HT) and [6,6]phenyl-C61-butyric acid methyl ester (PCBM).…”

Section: Introductionmentioning

confidence: 99%

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C₆₀ donor–acceptor conjugate

2016

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Fullerene based molecular heterojunctions such as the [6,6]-pyrrolidine-C60 donor-acceptor conjugate containing triphenylamine (TPA) are potential materials for high-efficient dye-sensitized solar cells. In this work, we estimate the rate constants for the photoinduced charge separation and charge recombination processes in TPA-C60 using the unrestricted and time-dependent DFT methods. Different schemes are applied to evaluate excited state properties and electron transfer parameters (reorganization energies, electronic couplings, and Gibbs energies). The use of open-shell singlet or triplet states, several density functionals and continuum solvation models is discussed. Strengths and limitations of the computational approaches are highlighted. The present benchmark study provides an overview of the expected performance of DFT-based methodologies in the description of photoinduced charge transfer reactions in fullerene heterojunctions.2

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Section: Introductionmentioning

confidence: 99%

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C₆₀ donor–acceptor conjugate

2016

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“…[1][2][3][4] To date, the ease to functionalize allotropes of carbon [5][6][7][8] has been exploited in applications in organic photovoltaics 9,10 and, in this context, devices have been prepared, which are capable of reaching energy conversion efficiencies up to 8 %. 11 Fullerenes constitute a particular class of molecules that have attracted the attention of the scientific community since their discovery in 1985.…”

Section: Introductionmentioning

confidence: 99%

Charge Transport in C₆₀-Based Dumbbell-type Molecules: Mechanically Induced Switching between Two Distinct Conductance States

et al. 2015

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Single molecule charge transport characteristics of buckminsterfullerene-capped symmetric fluorene-based dumbbell-type compound (1) were investigated by scanning tunneling microscopy break junction (STM-BJ), current sensing atomic force microscopy break junction (CS-AFM-BJ) and mechanically controlled break junction (MCBJ) techniques, under ambient conditions. We also show that the compound 1 is able to form highly organized defect-free surface adlayers, allowing the molecules on the surface to be addressed specifically. Two distinct single molecule conductance states (called high G H 1 and low G L 1 ) were observed, depending on the pressure exerted by the probe on the junction, allowing thus molecule 1 to function as a mechanically driven molecular switch. These two distinct conductance states were attributed to the electron tunneling through the buckminsterfullerene anchoring group and fully extended molecule 1, respectively. The assignment of conductance features to these configurations was further confirmed by control experiments with asymmetrically designed buckminsterfullerene derivative (2) as well as pristine buckminsterfullerene (3), both lacking the G L feature.

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“…19 Fullerenes promote ultrafast charge separation and long exciton diffusion length, and are also characterized by their small reorganization energy and high electron affinity, which renders them ideal electron acceptors. 20 Numerous derivatives have been prepared for OPV applications, 21 but the best performing, and certainly the most popular, is highly soluble phenyl-C61-butyric acid methyl ester (PCBM), 22 a benchmark n-type structure for OPVs (Fig. 2).…”

Section: ''Plastic'' Solar Cellsmentioning

confidence: 99%

New generation solar cells: concepts, trends and perspectives

2015

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Organic, dye-sensitized and perovskite solar cell technologies have triggered widespread interest in recent years due to their very promising potential towards a high solar electricity future. A number of important milestones have marked the roadmap of each sector on the way to today's outstanding performances, but there still remains plenty of scope for further improvement. The most influential landmarks, together with basic concepts and future perspectives are unraveled in this review.

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Organic photovoltaics: a chemical approach

Cited by 364 publications

References 127 publications

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C₆₀ donor–acceptor conjugate

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C₆₀ donor–acceptor conjugate

Charge Transport in C₆₀-Based Dumbbell-type Molecules: Mechanically Induced Switching between Two Distinct Conductance States

New generation solar cells: concepts, trends and perspectives

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Organic photovoltaics: a chemical approach

Cited by 364 publications

References 127 publications

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor–acceptor conjugate

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor–acceptor conjugate

Charge Transport in C60-Based Dumbbell-type Molecules: Mechanically Induced Switching between Two Distinct Conductance States

New generation solar cells: concepts, trends and perspectives

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Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C₆₀ donor–acceptor conjugate

Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C₆₀ donor–acceptor conjugate

Charge Transport in C₆₀-Based Dumbbell-type Molecules: Mechanically Induced Switching between Two Distinct Conductance States