Improvement of the efficiency of thiophene-bridged compounds for dye-sensitized solar cells

Preat, Julien; Jacquemin, Denis; Michaux, Catherine; Perpète, Éric A.

doi:10.1016/j.chemphys.2010.08.001

Cited by 123 publications

(51 citation statements)

References 96 publications

(139 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…

Δ G_{inject} = E_{OX}^{dy {normale}^{*}} - E_{CB}^{SC}

where

E_{OX}^{dy {normale}^{*}}

is the oxidation potential of the sensitizer at excited state,

E_{CB}^{SC}

is the reduction potential of the conduction band of the TiO 2 (TiO 2 CB = −4.0 eV).

E_{OX}^{dy {normale}^{*}}

can be estimated by

E_{OX}^{dy {normale}^{*}} = E_{OX}^{dye} - λ_{\max}^{ICT}

where

E_{OX}^{dye}

is the oxidation potential energy of the sensitizers in ground state, while

λ_{\max}^{ICT}

is electronic vertical absorption transition energy corresponding to the λ max .

E_{OX}^{dye}

can be estimated as negative E HOMO .…”

Section: Overall Efficiencymentioning

confidence: 99%

“…The alternative factor to increase J SC is electron injection rate, which is associated to the electron driving force (9) where E dye Ã OX is the oxidation potential of the sensitizer at excited state, E SC CB is the reduction potential of the conduction band of the TiO 2 (TiO 2 CB 5 24.0 eV). E dye Ã OX can be estimated by [46] E dye Ã OX 5E dye OX 2k ICT max (10) where E dye OX is the oxidation potential energy of the sensitizers in ground state, while k ICT max is electronic vertical absorption transition energy corresponding to the k max . E dye OX can be estimated as negative E HOMO [47].…”

Section: Factors Influencing (J Sc )mentioning

confidence: 99%

See 1 more Smart Citation

Effects of the bridge unit in D‐π‐A architecture to improve light harvesting efficiency at DSSCs: A first principle theoretical study

Madhu

Anbarasan

2017

Env Prog and Sustain Energy

View full text Add to dashboard Cite

This work systematically has investigated on the issues of spacer modified at D‐π‐A based organic sensitizers for Dye‐Sensitized Solar Cells (DSSCs). The rigidity of the donor and electron acceptor namely triphenylamine and 2‐cyanobut‐2‐enoic acid with good electron with drawing moiety are used for this study. The first principle theoretical calculations, the general effects of electron flow/electron injection in the π‐spacer based modified organic sensitizers are initially examined and explained. All the computations were carried out within the DFT and TD‐DFT framework, using the B3LYP functional. The solvation effects were incorporated using the Conductor like Polarized Continuum Model (C‐PCM) for the acetonitrile (CH3CN). Finally, the photovoltaic effective factors like the light harvesting properties and vertical dipole moment are evaluated and could be practically useful to achieve the efficiency of the studied dyes in DSSCs devices. © 2017 American Institute of Chemical Engineers Environ Prog, 37: 1403–1410, 2018

show abstract

“…

Δ G_{inject} = E_{OX}^{dy {normale}^{*}} - E_{CB}^{SC}

where

E_{OX}^{dy {normale}^{*}}

is the oxidation potential of the sensitizer at excited state,

E_{CB}^{SC}

is the reduction potential of the conduction band of the TiO 2 (TiO 2 CB = −4.0 eV).

E_{OX}^{dy {normale}^{*}}

can be estimated by

E_{OX}^{dy {normale}^{*}} = E_{OX}^{dye} - λ_{\max}^{ICT}

where

E_{OX}^{dye}

is the oxidation potential energy of the sensitizers in ground state, while

λ_{\max}^{ICT}

is electronic vertical absorption transition energy corresponding to the λ max .

E_{OX}^{dye}

can be estimated as negative E HOMO .…”

Section: Overall Efficiencymentioning

confidence: 99%

Section: Factors Influencing (J Sc )mentioning

confidence: 99%

Effects of the bridge unit in D‐π‐A architecture to improve light harvesting efficiency at DSSCs: A first principle theoretical study

Madhu

Anbarasan

2017

Env Prog and Sustain Energy

View full text Add to dashboard Cite

show abstract

“…The need to enhance the light-harvesting properties of organic dyes has motivated the search for the ideal donor [7][8][9][10] and acceptor [11][12][13][14][15][16][17] groups, the optimum manner to chemically connect them, [7][8][9] and the effect of chemical substitutions in distinctive molecular positions. [7,[39][40][41] These investigations are mainly based on analysis of the relative efficiencies among small sets of sensitizers. In general, it is hard to find systematic studies on the main characteristics of donor, acceptor, and pbridge constituents, which would be very helpful to catalogue the molecular fragments according to their characteristics when assembled as constituents of molecular dyes.…”

Section: Introductionmentioning

confidence: 99%

The Role of the π Linker in Donor–π–Acceptor Organic Dyes for High‐Performance Sensitized Solar Cells

Casanova

2011

ChemPhysChem

View full text Add to dashboard Cite

The key elements arising from different linkers between donor (D) and acceptor (A) fragments in D-π-A organic dyes are computationally studied. Taking triarylamine and the cyanoacrylic acid fragments as donor and acceptor units, respectively, the role of the different separators is computationally explored by means of optimized geometries, frontier molecular orbitals, static polarizabilities and hyperpolarizabilities, excitation energies to the lowest excited singlet, the charge-transfer character of the transition, and simulated absorption spectra. The results are compared to two closely related sets of linkers. Electronic-structure calculations on the studied organic dyes are performed with the CIS(D) wave function based method and time-dependent density functional theory (ωB97, ωB97X, and ωPBEh functionals). Solvation effects are introduced with the polarizable continuum model (PCM).

show abstract

“…The donor, CB, and acceptor can tune the electronic structures and related properties [18][19][20][21]. Ko's group had been developed many organic dye sensitizers with D-π-A structure, coded as JK series.…”

Section: Introductionmentioning

confidence: 99%

The electronic structure engineering of organic dye sensitizers for solar cells: The case of JK derivatives

Zhang

Zhe

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

View full text Add to dashboard Cite

Improvement of the efficiency of thiophene-bridged compounds for dye-sensitized solar cells

Cited by 123 publications

References 96 publications

Effects of the bridge unit in D‐π‐A architecture to improve light harvesting efficiency at DSSCs: A first principle theoretical study

Effects of the bridge unit in D‐π‐A architecture to improve light harvesting efficiency at DSSCs: A first principle theoretical study

The Role of the π Linker in Donor–π–Acceptor Organic Dyes for High‐Performance Sensitized Solar Cells

The electronic structure engineering of organic dye sensitizers for solar cells: The case of JK derivatives

Contact Info

Product

Resources

About