Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells

scientific article published on 31 July 2012

Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/C2CP42031G
P698PubMed publication ID22847552

P2093author name stringNiall J English
Saurabh Agrawal
K Ravindranathan Thampi
J M D MacElroy
P2860cites workDensity-Functional Theory for Time-Dependent SystemsQ21706213
Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the EnergyQ21706240
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A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 filmsQ26778451
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Nanoforest Nb2O5 photoanodes for dye-sensitized solar cells by pulsed laser depositionQ34020019
Porphyrin-sensitized solar cells with cobalt (II/III)-based redox electrolyte exceed 12 percent efficiencyQ34230064
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Metal-free organic dyes for dye-sensitized solar cells: from structure: property relationships to design rulesQ37417209
Aggregation of organic dyes on TiO2 in dye-sensitized solar cells models: an ab initio investigationQ43216011
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High efficiency of dye-sensitized solar cells based on metal-free indoline dyesQ45082527
Simple organic molecules bearing a 3,4-ethylenedioxythiophene linker for efficient dye-sensitized solar cellsQ46290908
Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection across the alizarin-TiO2 interfaceQ46507072
Novel carboxylated oligothiophenes as sensitizers in photoelectric conversion systemsQ46632850
Organic dyes containing thienylfluorene conjugation for solar cellsQ46643353
Characterization of solid-state dye-sensitized solar cells utilizing high absorption coefficient metal-free organic dyes.Q46821852
Combined experimental and DFT-TDDFT computational study of photoelectrochemical cell ruthenium sensitizersQ46826428
Electron transport in coumarin-dye-sensitized nanocrystalline TiO2 electrodesQ46866090
Tuning the HOMO and LUMO energy levels of organic chromophores for dye sensitized solar cellsQ46917301
A highly efficient organic sensitizer for dye-sensitized solar cells.Q47822698
Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters.Q50561279
Efficient far red sensitization of nanocrystalline TiO2 films by an unsymmetrical squaraine dye.Q50684390
Electronic structure and spectra of catechol and alizarin in the gas phase and attached to titanium.Q50728087
Parameter-free calculation of response functions in time-dependent density-functional theory.Q52011270
Dye-sensitized solar cellsQ56002505
Ab Initio Time-Domain Study of Phonon-Assisted Relaxation of Charge Carriers in a PbSe Quantum DotQ57349070
Dye-Sensitized Solar CellsQ58414858
Influence of π-Conjugation Units in Organic Dyes for Dye-Sensitized Solar CellsQ58414937
Origin of efficiency enhancement in Nb2O5 coated titanium dioxide nanorod based dye sensitized solar cellsQ59009518
Surface-Binding Forms of Carboxylic Groups on Nanoparticulate TiO2Surface Studied by the Interface-Sensitive Transient Triplet-State Molecular ProbeQ59125103
P433issue35
P407language of work or nameEnglishQ1860
P921main subjectsolar cellQ58803
P304page(s)12044-12056
P577publication date2012-07-31
P1433published inPhysical Chemistry Chemical PhysicsQ3018671
P1476titlePerspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells
P478volume14

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cites work (P2860)
Q59046365Characterization and Performance Evaluation of Dye Sensitized Solar Cell Using Nanostructured TiO2Electrode
Q59103720Density Functional Theory Study on the Electronic Structures of Oxadiazole Based Dyes as Photosensitizer for Dye Sensitized Solar Cells
Q45927479Electronic and optical properties of the triphenylamine-based organic dye sensitized TiO2 semiconductor: insight from first principles calculations.
Q53222326Theoretical Verification of Photoelectrochemical Water Oxidation Using Nanocrystalline TiO2 Electrodes.

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