Small optical gap molecules and polymers: using theory to design more efficient materials for organic photovoltaics.
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Summary
This chapter reviews some recent quantum-chemical investigations of donor-acceptor copolymers, systems that have found wide use as the primary absorbing and hole-transport materials in bulk-heterojunction solar cells.
- Type
- article
- Published
- 2014-01-01
- Cited by
- 16
- References
- 318
- OpenAlex
- https://openalex.org/W73164523
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:6291550
Keywords
Organic solar cell, Photovoltaics, Photovoltaic system, Chemistry, Nanotechnology
References
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- Does the donor–acceptor concept work for designing synthetic metals?
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- On the origin of the open-circuit voltage of polymer-fullerene solar cells.
- Regioregular Oligomer and Polymer Containing Thieno[3,4-b]thiophene Moiety for Efficient Organic Solar Cells
- Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles
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- Assessment of a long-range corrected hybrid functional.
- Donor and Acceptor Behavior in a Polyfluorene for Photovoltaics
- Synthetic control of structural order in N-alkylthieno[3,4-c]pyrrole-4,6-dione-based polymers for efficient solar cells.
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- Processable Low-Bandgap Polymers for Photovoltaic Applications†
- Alternating oligo(p-phenylene vinylene)--perylene bisimide copolymers: synthesis, photophysics, and photovoltaic properties of a new class of donor--acceptor materials.
- Exciton regeneration at polymeric semiconductor heterojunctions.
- Synthesis and Photovoltaic Properties of Two Benzo[1,2-b:3,4-b′]dithiophene-Based Conjugated Polymers
- Theoretical study on electronic structure and optical properties of phenothiazine-containing conjugated oligomers and polymers.
- Plastic solar cells: Self-assembly of bulk heterojunction nano-materials by spontaneous phase separation
Cited by
- Gas-phase valence-electron photoemission spectroscopy using density functional theory.
- Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies from a Self-Consistent Range-Separated Hybrid Functional.
- A weak donor/strong acceptor alternating copolymer for efficient bulk heterojunction solar cells
- Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional
- Rational design and characterization of high-efficiency planar A–π–D–π–A type electron donors in small molecule organic solar cells: A quantum chemical approach
- A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues.
- Gap renormalization of molecular crystals from density-functional theory
- Excited-State Properties of Molecular Solids from First Principles.
- Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character
- Systematic evaluation of structure–property relationships in heteroacene – diketopyrrolopyrrole molecular donors for organic solar cells
- Many-body perturbation theory for understanding optical excitations in organic molecules and solids
- Dielectric Screening Meets Optimally Tuned Density Functionals
- Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals.
- Quantitative Accuracy in Calculating Charge Transfer State Energies in Solvated Molecular Complexes Using a Screened Range Separated Hybrid Functional within a Polarized Continuum Model.
- Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functional.
- Influence of Surface and Structural Variations in Donor-Acceptor-Donor Sensitizers on Photoelectrocatalytic Water Splitting.
- Exploring the Chemical Reactivity andBioactivity of Romidepsin: A CDFT-BasedComputational Peptidology Study
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