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List of works by David Beljonne

"Helter-skelter-like" perylene polyisocyanopeptides

scientific article published in March 2009

"Reduced" distributed monopole model for the efficient prediction of energy transfer in condensed phases

scientific article published on 19 January 2008

20-1: Invited Paper: Towards Deep-Blue Materials with Efficient Triplet Harvesting

scientific article published in May 2018

25th anniversary article: high-mobility hole and electron transport conjugated polymers: how structure defines function

scientific article published on 05 March 2014

2D excitons as primary energy carriers in organic crystals: the case of oligoacenes.

scientific article published on 20 May 2010

8-HaloBODIPYs and their 8-(C, N, O, S) substituted analogues: solvent dependent UV-vis spectroscopy, variable temperature NMR, crystal structure determination, and quantum chemical calculations.

scientific article published on 19 February 2014

A Blue-Light-Emitting BODIPY Probe for Lipid Membranes.

scientific article published on 22 March 2016

A Conjugated Thiophene-Based Rotaxane: Synthesis, Spectroscopy, and Modeling

A Curved Graphene Nanoribbon with Multi-Edge Structure and High Intrinsic Charge Carrier Mobility

scientific article published on 20 October 2020

A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluorescence by Triplet-Triplet Annihilation

scientific article published on 18 March 2020

A conjugated thiophene-based rotaxane: synthesis, spectroscopy, and modeling

scientific article published on 01 April 2010

A dynamic supramolecular polymer with stimuli-responsive handedness for in situ probing of enzymatic ATP hydrolysis

scientific article published in Nature Communications

A highly potassium-selective ratiometric fluorescent indicator based on BODIPY azacrown ether excitable with visible light

scientific article published on 01 September 2005

A joint theoretical/experimental study of the structure, dynamics, and Li+ transport in bis([tri]fluoro[methane]sulfonyl)imide [T]FSI-based ionic liquids

article

A microscopic model for the fluctuations of local field and spontaneous emission of single molecules in disordered media

scientific article published on 01 January 2005

A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif

scientific article

A theoretical insight into the solid-state optical properties of luminescent materials: the supermolecular approach

Ab Initio Modeling of Donor–Acceptor Interactions and Charge-Transfer Excitations in Molecular Complexes: The Case of Terthiophene–Tetracyanoquinodimethane

scientific article published on 16 June 2011

Absorption and Emission in Quaterthienyl Thin Films

Affecting surface chirality via multicomponent adsorption of chiral and achiral molecules

scientific article published on 01 October 2014

Alternating oligo(p-phenylene vinylene)--perylene bisimide copolymers: synthesis, photophysics, and photovoltaic properties of a new class of donor--acceptor materials

scientific article published on 01 July 2003

An Oligomer Approach for Blue Thermally Activated Delayed Fluorescent Emitters Based on Twisted Donor–Acceptor Units

Analysis of the sign reversal of the second-order molecular polarizability in polymethineimine chains

article by Denis Jacquemin et al published 8 October 2001 in Journal of Chemical Physics

Approaching disorder-free transport in high-mobility conjugated polymers

scientific article

Assemblies of perylene diimide derivatives with melamine into luminescent hydrogels

scientific article published on 04 October 2011

Asymmetric noncovalent synthesis of self-assembled one-dimensional stacks by a chiral supramolecular auxiliary approach.

scientific article

Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons

scientific article published on January 2013

Author Correction: Phonon coherences reveal the polaronic character of excitons in two-dimensional lead halide perovskites

scientific article published on 01 April 2019

Belt-shaped π-systems: relating geometry to electronic structure in a six-porphyrin nanoring

scientific article published on 12 October 2011

Beta sheets with a twist: the conformation of helical polyisocyanopeptides determined by using vibrational circular dichroism

scientific article published on 12 August 2013

Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems

scientific article published on 14 May 2009

Binding mode multiplicity and multiscale chirality in the supramolecular assembly of DNA and a π-conjugated polymer

scientific article published on 10 September 2020

Boron dipyrromethene analogs with phenyl, styryl, and ethynylphenyl substituents: synthesis, photophysics, electrochemistry, and quantum-chemical calculations

scientific article published on 14 August 2007

Bottom-Up Hierarchical Self-Assembly of Chiral Porphyrins through Coordination and Hydrogen Bonds

scientific article published on 14 December 2015

Bottom-Up Synthesis of Necklace-Like Graphene Nanoribbons

article

Breakdown of the mirror image symmetry in the optical absorption/emission spectra of oligo(para-phenylene)s

scientific article published in February 2005

CT−CT Annihilation in Rigid Perylene End-Capped Pentaphenylenes

scientific article published in January 2007

Carbene-Metal-Amide Bond Deformation, Rather Than Ligand Rotation, Drives Delayed Fluorescence

scientific article published on 14 March 2018

Chain-Length Dependence of Singlet and Triplet Exciton Formation Rates in Organic Light-Emitting Diodes

Charge Carrier Mobility: Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecyl[1]benzothieno[3,2-b ][1]benzothiophene (Adv. Mater. 33/2016)

scientific article published in September 2016

Charge Separation and Recombination at Polymer-Fullerene Heterojunctions: Delocalization and Hybridization Effects

scientific article published on 21 January 2016

Charge Separation in Semicrystalline Polymeric Semiconductors by Photoexcitation: Is the Mechanism Intrinsic or Extrinsic?

scientific article published in Physical Review Letters

Charge Transport in Organic Semiconductors: A Multiscale Modeling

Charge dissociation at interfaces between discotic liquid crystals: the surprising role of column mismatch.

scientific article published on 10 February 2014

Charge separation energetics at organic heterojunctions: on the role of structural and electrostatic disorder

scientific article

Charge separation in localized and delocalized electronic states in polymeric semiconductors

scientific article published in Nature

Charge transport in organic semiconductors: Assessment of the mean field theory in the hopping regime ⬇️

scientific article published on August 14, 2013

Charge-recombination processes in oligomer- and polymer-based light-emitting diodes: A molecular picture

Charge-transfer and energy-transfer processes in pi-conjugated oligomers and polymers: a molecular picture

scientific article published on 01 November 2004

Charge-transfer excitations steer the Davydov splitting and mediate singlet exciton fission in pentacene

scientific article published on 31 May 2013

Charge-transfer excitons in strongly coupled organic semiconductors

scholarly article in Physical Review B, vol. 81 no. 4, January 2010

Charge-transfer states and white emission in organic light-emitting diodes: a theoretical investigation

Chiral Expression at the Solid−Liquid Interface: A Joint Experimental and Theoretical Study of the Self-Assembly of Chiral Porphyrins on Graphite

scientific article published on 24 July 2008

Chromophores in phenylenevinylene-based conjugated polymers: role of conformational kinks and chemical defects

scientific article published on 01 August 2006

Coherent Electron Transmission across Nanographenes Tethered to Gold Electrodes: Influence of Linker Topology, Ribbon Width, and Length

scientific article published on 28 March 2014

Collective molecular switching in hybrid superlattices for light-modulated two-dimensional electronics.

scientific article published on 9 July 2018

Combined Molecular Dynamics and Density Functional Theory Study of Azobenzene–Graphene Interfaces

scientific article published on 21 March 2016

Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids.

scientific article published on 8 July 2016

Comprehensive modelling study of singlet exciton diffusion in donor-acceptor dyads: when small changes in chemical structure matter

scientific article published on 06 November 2019

Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead

scientific article published on 10 October 2018

Conformational Disorder and Ultrafast Exciton Relaxation in PPV-family Conjugated Polymers

scientific article published on 22 January 2009

Conformational effects on excitation transport along conjugated polymer chains

scientific article published in March 2009

Control of intrachain charge transfer in model systems for block copolymer photovoltaic materials

scientific article published on 20 March 2013

Controlling Microsized Polymorphic Architectures with Distinct Linear and Nonlinear Optical Properties

Controlling Microsized Polymorphic Architectures with Distinct Linear and Nonlinear Optical Properties

scientific article published on 11 August 2015

Corrigendum: A Conjugated Thiophene-Based Rotaxane: Synthesis, Spectroscopy, and Modeling

scholarly article published in Chemistry—A European Journal

Corrigendum: Intramolecular Borylation via Sequential B-Mes Bond Cleavage for the Divergent Synthesis of B,N,B-Doped Benzo[4]helicenes

scientific article published on 01 August 2020

Coupled-cluster approach for studying the optical properties of charged π-conjugated oligomers

Crystal step edges can trap electrons on the surfaces of n-type organic semiconductors.

scientific article

Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes

Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes

scientific article published on 7 September 2018

Design Rules to Maximize Charge-Carrier Mobility along Conjugated Polymer Chains

scientific article published on 21 July 2020

Design of organic molecules with large two-photon absorption cross sections.

scientific article published in September 1998

Design of π-Conjugated Organic Materials for One-Dimensional Energy Transport in Nanochannels

scientific article published in March 2005

Dielectric nanosheets made by liquid-phase exfoliation in water and their use in graphene-based electronics

article published in 2014

Displacement of polarons by vibrational modes in doped conjugated polymers

scientific article

Do Carbon Nanotubes Improve the Thermomechanical Properties of Benzoxazine Thermosets?

scientific article published on 30 July 2018

Does Excess Energy Assist Photogeneration in an Organic Low-Bandgap Solar Cell?

Does Förster theory predict the rate of electronic energy transfer for a model dyad at low temperature?

scientific article published on 5 March 2008

Does supramolecular ordering influence exciton transport in conjugated systems? Insight from atomistic simulations

Doping of Monolayer Transition-Metal Dichalcogenides via Physisorption of Aromatic Solvent Molecules

scientific article published on 23 January 2019

Dynamics of guest molecules in PHTP inclusion compounds as probed by solid-state NMR and fluorescence spectroscopy.

scientific article published in April 2009

Dynamics of the triplet-pair state reveals the likely coexistence of coherent and incoherent singlet fission in crystalline hexacene

scientific article published on 5 December 2016

Edge Functionalization of Structurally Defined Graphene Nanoribbons for Modulating the Self-Assembled Structures.

scientific article published on 3 November 2017

Effect of fluorination on the electronic structure and optical excitations of π-conjugated molecules

scientific article published on 21 March 2007

Effect of the chromophore donor group and ferrocene doping on the dynamic range, gain, and phase shift in photorefractive polymers

scientific article published in 2000

Effects of Polymer Packing Structure on Photoinduced Triplet Generation and Dynamics

Effects of the Environment on Charge Transport in Molecular Wires

Efficient approach to electron-deficient 1,2,7,8-tetraazaperylene derivatives

scientific article published on 3 September 2014

Efficient energy transfer in mixed columnar stacks of hydrogen-bonded oligo(p-phenylene vinylene)s in solution

scientific article published in April 2004

Electro-optic response of chiral helicenes in isotropic media

article by D. Beljonne et al published 22 January 1998 in Journal of Chemical Physics

Electroabsorption in poly(paraphenylene vinylene) and PtI: Exciton vs band descriptions

Electronic Polarization in Organic Crystals: A Comparative Study of Induced Dipoles and Intramolecular Charge Redistribution Schemes

scientific article published on November 2014

Electronic Processes at Organic−Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices†

article

Electronic Transport Properties of Ensembles of Perylene-Substituted Poly-isocyanopeptide Arrays

Electronic and vibrational circular dichroism spectroscopies for the understanding of chiral organization in porphyrin aggregates

scientific article published on 08 August 2012

Electronic properties of dinuclear ruthenium—acetylide complexes: electrochemical and theoretical characterization

Electronic structure of π-conjugated oligomers and polymers: a quantum–chemical approach to transport properties

Electronic structures of interfacial states formed at polymeric semiconductor heterojunctions

scientific article published on 27 April 2008

Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

scientific article published on 7 September 2016

Elucidating Batch-to-Batch Variation Caused by Homocoupled Side Products in Solution-Processable Organic Solar Cells

Emission and Absorption Tuning in TADF B,N‐Doped Heptacenes: Toward Ideal‐Blue Hyperfluorescent OLEDs

Energetics of Electron–Hole Separation at P3HT/PCBM Heterojunctions

Energy Level Alignment and Charge Carrier Mobility in Noncovalently Functionalized Graphene

article

Energy transfer in π-conjugated polymers: Interchain vs. intrachain processes in polyindenofluorene

Energy transport along conjugated polymer chains with extended radiative lifetimes: a theoretical study

scientific article published on 01 December 2009

Engineering Chemically Active Defects in Monolayer MoS2 Transistors via Ion-Beam Irradiation and Their Healing via Vapor Deposition of Alkanethiols

scientific article published in March 2017

Enhanced Adhesion Energy at Oxide/Ag Interfaces for Low-Emissivity Glasses: Theoretical Insight into Doping and Vacancy Effects

scientific article published on 17 August 2020

Erratum: Singlet exciton fission in solution

scholarly article published in Nature Chemistry

Excitation migration along oligophenylenevinylene-based chiral stacks: delocalization effects on transport dynamics.

scientific article

Excited-State Electronic Structure of Conjugated Oligomers and Polymers: A Quantum-Chemical Approach to Optical Phenomena

Exciton coupling in oligothiophenes: A combined experimental/theoretical study

Exciton diffusion in energetically disordered organic materials

scholarly article in Physical Review B, vol. 80 no. 19, November 2009

Exciton migration in rigid-rod conjugated polymers: an improved Förster model

scientific article published in April 2005

Excitonic versus electronic couplings in molecular assemblies: The importance of non-nearest neighbor interactions

scientific article published in January 2009

Exfoliation of Few-Layer Graphene in Volatile Solvents Using Aromatic Perylene Diimide Derivatives as Surfactants

scientific article published on 30 November 2016

Experimental Observation of Strong Exciton Effects in Graphene Nanoribbons

scientific article published on 31 March 2020

Experimental and theoretical study of temperature dependent exciton delocalization and relaxation in anthracene thin films

scientific article published in February 2008

Exploring the energy landscape of the charge transport levels in organic semiconductors at the molecular scale

scientific article

Expression of chirality in molecular layers at surfaces: insights from modelling.

scientific article published on 16 January 2009

Fashioning Fluorous Organic Spacers for Tunable and Stable Layered Hybrid Perovskites

scientific article published on 24 October 2018

Fate of Low-Lying Charge-Transfer Excited States in a Donor:Acceptor Blend with a Large Energy Offset

scientific article published on 18 November 2020

Fingerprints for structural defects in poly(thienylene vinylene) (PTV): a joint theoretical-experimental NMR study on model molecules

scientific article published on 05 October 2011

First Principles Calculations of Charge Transfer Excitations in Polymer-Fullerene Complexes: Influence of Excess Energy

scientific article published on 2 October 2014

First hyperpolarizability dispersion of the octupolar molecule crystal violet: multiple resonances and vibrational and solvation effects

scientific article published on 29 October 2010

First principles modeling of exciton-polaritons in polydiacetylene chains

scientific article published on 01 August 2020

First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by MolecularπStacking

article

Flexible Surface Hopping Approach to Model the Crossover from Hopping to Band-like Transport in Organic Crystals

scientific article published on 21 May 2013

Fluorescence depolarization in poly[2-methoxy-5-((2-ethylhexyl)oxy)-1,4-phenylenevinylene]: sites versus eigenstates hopping

scientific article published in November 2009

Fluorescence lifetime fluctuations of single molecules probe the local environment of oligomers around the glass transition temperature

scientific article published on 14 May 2007

Formation of Long-Lived Color Centers for Broadband Visible Light Emission in Low-Dimensional Layered Perovskites.

scientific article published on 20 November 2017

Functional Layers for ZnII Ion Detection: From Molecular Design to Optical Fiber Sensors

scientific article published on 20 December 2013

Functional panchromatic BODIPY dyes with near-infrared absorption: design, synthesis, characterization and use in dye-sensitized solar cells

scientific article published on 24 July 2019

Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons

scientific article published on 29 June 2016

General model for the description of the third-order optical nonlinearitiesin conjugated systems: Application to the all-trans Β-carotene molecule

scholarly article in Physical Review B, vol. 55 no. 3, January 1997

Geometric and electronic structures of boron(III)-cored dyes tailored by incorporation of heteroatoms into ligands.

scientific article published on 6 February 2015

Graphene Meets Ionic Liquids: Fermi Level Engineering via Electrostatic Forces

scientific article published on 12 March 2019

Graphene Nanoribbons as Low Band Gap Donor Materials for Organic Photovoltaics: Quantum Chemical Aided Design

article

Green emission from poly(fluorene)s: The role of oxidation

Ground- and Excited-State Pinched Cone Equilibria in Calix[4]arenes Bearing Two Perylene Bisimide Dyes

Hierarchical Chiral Expression from the Nano- to Mesoscale in Synthetic Supramolecular Helical Fibers of a NonamphiphilicC3-Symmetrical π-Functional Molecule

scientific article published on 05 May 2011

Hierarchical self-assembly of supramolecular helical fibres from amphiphilic C3-symmetrical functional tris(tetrathiafulvalenes)

scientific article published on 30 October 2014

Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules

scientific article published in Nature Communications

Highly polar chromophores in poled polymer films characterised by second harmonic generation

Host dependence of the electron affinity of molecular dopants

Hot-Hole Cooling Controls the Initial Ultrafast Relaxation in Methylammonium Lead Iodide Perovskite.

scientific article published on 25 May 2018

How do Triplets and Charges Move in Disordered Organic Semiconductors? A Monte Carlo Study Comprising the Equilibrium and Nonequilibrium Regime

Impact of bridging units on the dynamics of photoinduced charge generation and charge recombination in donor-acceptor dyads

scientific article published in June 2007

Impact of the computational method on the geometric and electronic properties of oligo(phenylene vinylene) radical cations

scientific article published on 01 November 2005

In Depth Analysis of Photovoltaic Performance of Chlorophyll Derivative-Based "All Solid-State" Dye-Sensitized Solar Cells

scientific article published on 03 January 2020

Increased luminescence efficiency by synergistic exploitation of lipo/hydrophilic co-solvency and supramolecular design

Influence of Copolymer Interface Orientation on the Optical Emission of Polymeric Semiconductor Heterojunctions

scientific article published in Physical Review Letters

Influence of Intermolecular Orientation on the Photoinduced Charge Transfer Kinetics in Self-Assembled Aggregates of Donor−Acceptor Arrays

scientific article published on 01 January 2006

Influence of intermolecular vibrations on the electronic coupling in organic semiconductors: the case of anthracene and perfluoropentacene.

scientific article published in September 2009

Influence of molecular architecture and chain length on the nonlinear optical response of conjugated oligomers and polymers

Influence of the supramolecular order on the electrical properties of 1D coordination polymers based materials

Inside Cover: Bottom-Up Synthesis of Necklace-Like Graphene Nanoribbons (Chem. Asian J. 10/2015)

scientific article published on 23 September 2015

Interchain vs. intrachain energy transfer in acceptor-capped conjugated polymers

scientific article

Interlayer Bonding in Two-Dimensional Materials: The Special Case of SnP3 and GeP3

scientific article published on 16 May 2020

Intermolecular interactions in the molecular ferromagnetic NH4Ni(mnt)2· H2O

scientific article published in Nature

Intersystem Crossing Processes in Nonplanar Aromatic Heterocyclic Molecules

scientific article published on 02 October 2007

Intramolecular Borylation via Sequential B-Mes Bond Cleavage for the Divergent Synthesis of B,N,B-Doped Benzo[4]helicenes

scientific article published on 16 January 2020

Investigation of the linear and nonlinear optical response of edge-linked conjugated zinc porphyrin oligomers by optical spectroscopy and configuration interaction techniques

Lanthanide-doped inorganic nanoparticles turn molecular triplet excitons bright

scientific article published on 25 November 2020

Light-enhanced liquid-phase exfoliation and current photoswitching in graphene-azobenzene composites

scientific article

Limitations of the Förster Description of Singlet Exciton Migration: The Illustrative Example of Energy Transfer to Ketonic Defects in Ladder-type Poly(para-phenylenes)

Liquid crystalline metal-free phthalocyanines designed for charge and exciton transport

scientific article published on 01 November 2005

Liquid-Phase Exfoliation of Graphite into Single- and Few-Layer Graphene with α-Functionalized Alkanes

Macromolecular scaffolding: the relationship between nanoscale architecture and function in multichromophoric arrays for organic electronics

article

Maximizing Singlet Fission by Intermolecular Packing

scientific article published on 17 September 2014

Mechanisms for enhancement of two-photon absorption in donor–acceptor conjugated chromophores

article published in 1998

Methodological aspects of the quantum-chemical description of interface dipoles at tetrathiafulvalene/tetracyanoquinodimethane interfaces ⬇️

scientific article published on 01 November 2012

Mixed quantum-classical dynamics for charge transport in organics.

scientific article published in May 2015

Mixed quantum-classical simulations of charge transport in organic materials: Numerical benchmark of the Su-Schrieffer-Heeger model ⬇️

scientific article published on June 28, 2011

Modeling Polymer Dielectric/Pentacene Interfaces: On the Role of Electrostatic Energy Disorder on Charge Carrier Mobility

article

Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key!

scientific article published on 05 July 2022

Modeling the dynamics of chromophores in conjugated polymers: the case of poly(2-methoxy-5-(2'-ethylhexyl)oxy 1,4-phenylene vinylene) (MEH-PPV).

scientific article published in February 2009

Modelling exciton diffusion in disordered conjugated polymers

Modulation of charge transport properties of reduced graphene oxide by submonolayer physisorption of an organic dye

article

Molecular Origin of the Temperature-Dependent Energy Migration in a Rigid-Rod Ladder-Phenylene Molecular Host

Molecular Weight Dependence of Exciton Diffusion in Poly(3-hexylthiophene)

Monte Carlo Simulation of Exciton Bimolecular Annihilation Dynamics in Supramolecular Semiconductor Architectures†

Multichromophoric Dendrimers as Single-Photon Sources: A Single-Molecule Study

scientific article published in October 2004

Nanoscale insight into the exfoliation mechanism of graphene with organic dyes: effect of charge, dipole and molecular structure

scientific article

Non-conjugated, phenyl assisted coupling in through bond electron transfer in a perylenemonoimide-triphenylamine system

scientific article published on 21 February 2007

Nonlinear optical processes in conjugated polymers: configuration interaction description of linear polyenes and VEH/SOS evaluation of polyarylene vinylenes

Nonlinear optical processes in short polyenes: Configuration interaction description of two‐photon absorption and third‐harmonic generation

Nucleoside-assisted self-assembly of oligo(p-phenylenevinylene)s at liquid/solid interface: chirality and nanostructures

scientific article published on 18 October 2011

Oligo(p-phenylene ethynylene)-BODIPY derivatives: synthesis, energy transfer, and quantum-chemical calculations

scientific article published on 11 October 2011

Oligophenylenevinylenes in Spatially Confined Nanochannels: Monitoring Intermolecular Interactions by UV/Vis and Raman Spectroscopy

On the Relation between Morphology and FET Mobility of Poly(3-alkylthiophene)s at the Polymer/SiO2and Polymer/Air Interface

scientific article published on 27 November 2013

On the Supramolecular Packing of High Electron Mobility Naphthalene Diimide Copolymers: The Perfect Registry of Asymmetric Branched Alkyl Side Chains

article

On the formation mechanism for electrically generated exciplexes in a carbazole-pyridine copolymer

On the luminescence efficiency of polymer light-emitting diodes: a quantum-chemical investigation

On the nature of electronic excitations in poly(paraphenylenevinylene): A quantum-chemical investigation

On the singlet-triplet splitting of geminate electron-hole pairs in organic semiconductors

scientific article published on 21 February 2008

Optical and redox properties of a series of 3,4-ethylenedioxythiophene oligomers

scientific article

Optical properties of light-emitting nematic liquid crystals: a joint experimental and theoretical study.

scientific article published on September 2010

Optical properties of oligothiophene substituted diketopyrrolopyrrole derivatives in the solid phase: joint J- and H-type aggregation

scientific article published on 19 July 2012

Optical properties of singly charged conjugated oligomers: a coupled-cluster equation of motion study

scientific article published in September 2004

Optoelectronic and charge transport properties at organic-organic semiconductor interfaces: comparison between polyfluorene-based polymer blend and copolymer

scientific article published on 4 September 2008

Organic Cations Protect Methylammonium Lead Iodide Perovskites Against Small Exciton-Polaron Formation

scientific article published on 30 March 2020

Organization of the enantiomeric and racemic forms of an amphiphilic resorcinol derivative at the air-water and graphite-1-phenyloctane interfaces

scientific article published on 19 December 2011

Orientation dependent molecular electrostatics drives efficient charge generation in homojunction organic solar cells

scientific article published on 15 September 2020

Origin of DNA-Induced Circular Dichroism in a Minor-Groove Binder

scientific article

Overlap-Driven Splitting of Triplet Pairs in Singlet Fission

scientific article published on 15 November 2020

Oxidizing Ru(II) complexes as irreversible and specific photo-cross-linking agents of oligonucleotide duplexes

scientific article published in December 2009

Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence

scientific article published on 2 April 2015

Pasteurian Segregation on a Surface Imaged In Situ at the Molecular Level

scientific article published on 24 October 2012

Pathways for Photoinduced Charge Separation in DNA Hairpins ⬇️

scientific article published on November 26, 2003

Pathways for photoinduced charge separation and recombination at donor-acceptor heterojunctions: the case of oligophenylenevinylene-perylene bisimide complexes

scientific article published on 01 March 2006

Periodic potentials in hybrid van der Waals heterostructures formed by supramolecular lattices on graphene

scientific article published on 21 March 2017

Persistent Ion Accumulation at Interfaces Improves the Performance of Perovskite Solar Cells

scientific article published in 2022

Phonon coherences reveal the polaronic character of excitons in two-dimensional lead halide perovskites

scientific article published on 14 January 2019

Phosphorescence and triplet state energies of oligothiophenes

scientific article published on 01 March 2005

Photoaddition of two guanine bases to single Ru-TAP complexes. Computational studies and ultrafast spectroscopies to elucidate the pH dependence of primary processes

scientific article published on 18 March 2015

Photochemistry of ruthenium(ii) complexes based on 1,4,5,8-tetraazaphenanthrene and 2,2'-bipyrazine: a comprehensive experimental and theoretical study

scientific article published on 4 May 2017

Photoinduced charge generation and recombination dynamics in model donor/acceptor pairs for organic solar cell applications: a full quantum-chemical treatment

scientific article

Photoinduced electron-transfer processes along molecular wires based on phenylenevinylene oligomers: a quantum-chemical insight

scientific article published in April 2002

Photoluminescence Quenching Probes Spin Conversion and Exciton Dynamics in Thermally Activated Delayed Fluorescence Materials

scientific article published on 08 April 2019

Photophysical properties of ruthenium(II) polyazaaromatic compounds: a theoretical insight.

scientific article

Photophysical study of bay substituted perylenediimides

Polymeric EO modulators based on chiral structures

Polymorphism, fluorescence, and optoelectronic properties of a borazine derivative

scientific article

Probing excitation delocalization in supramolecular chiral stacks by means of circularly polarized light: experiment and modeling

scientific article published on 12 May 2007

Probing the interaction between 2,2'-bithiophene-5-carboxylic acid and TiO2 by photoelectron spectroscopy: A joint experimental and theoretical study

scientific article published in December 2017

Probing the relation between charge transport and supramolecular organization down to ångström resolution in a benzothiadiazole-cyclopentadithiophene copolymer

scientific article published on 19 June 2012

Publisher Correction: Collective molecular switching in hybrid superlattices for light-modulated two-dimensional electronics

scientific article published in Nature Communications

Ratiometric, fluorescent BODIPY dye with aza crown ether functionality: synthesis, solvatochromism, and metal ion complex formation.

scientific article

Repurposing DNA-binding agents as H-bonded organic semiconductors

scientific article published on 16 September 2019

Resonance Raman study of the J-type aggregation process of a water soluble perylene bisimide

scientific article published on 01 August 2019

Resonance energy transfer dynamics in hydrogen-bonded oligo-p-phenylenevinylene nanostructures

Resonant Energy Transport in Dye-Filled Monolithic Crystals of Zeolite L: Modeling of Inhomogeneity

scientific article published on 28 November 2016

Revealing competitive Forster-type resonance energy-transfer pathways in single bichromophoric molecules

scientific article published on 28 October 2003

Robust singlet fission in pentacene thin films with tuned charge transfer interactions.

scientific article published on 5 March 2018

Role of Edge Engineering in Photoconductivity of Graphene Nanoribbons

scientific article published on 19 May 2017

Rotator side chains trigger cooperative transition for shape and function memory effect in organic semiconductors.

scientific article

SSH-Hamiltonian description of the electronic structure and vibrational properties of polyparaphenylene vinylene

article

Self-Assembled Conjugated Thiophene-Based Rotaxane Architectures: Structural, Computational, and Spectroscopic Insights into Molecular Aggregation

Self-assembled organic microfibers for nonlinear optics

scientific article published on 21 February 2013

Self-assembly and hybridization mechanisms of DNA with cationic polythiophene

scientific article published on 16 July 2015

Shared-mode assisted resonant energy transfer in the weak coupling regime

scientific article published on 7 June 2009

Short contacts between chains enhancing luminescence quantum yields and carrier mobilities in conjugated copolymers.

scientific article published on 13 June 2019

Single Molecule Spectroscopy as a Probe for Dye−Polymer Interactions

scientific article published in August 2005

Singlet Fission in Rubrene Derivatives: Impact of Molecular Packing

article published in 2017

Singlet and Triplet Exciton Formation Rates in Conjugated Polymer Light-Emitting Diodes

scientific article published in Physical Review Letters

Singlet and triplet exciton formation rates in conjugated polymer LEDs

Singlet exciton fission in solution

scientific article

Singlet exciton fission via an intermolecular charge transfer state in coevaporated pentacene-perfluoropentacene thin films

scientific article published on 01 October 2019

Singlet-triplet splitting of geminate electron-hole pairs in conjugated polymers

scientific article published on 04 August 2004

Singlet–Singlet Annihilation Leading to a Charge-Transfer Intermediate in Chromophore-End-Capped Pentaphenylenes

scientific article published on 25 June 2007

Solid-state optical properties of linear polyconjugated molecules: pi-stack contra herringbone

scientific article published in October 2005

Solution Synthesis and Characterization of a Long and Curved Graphene Nanoribbon with Hybrid Cove-Armchair-Gulf Edge Structures

scientific article from 2022

Solvent and pH dependent fluorescent properties of a dimethylaminostyryl borondipyrromethene dye in solution.

scientific article published in May 2006

Spatial Charge Separation as the Origin of Anomalous Stark Effect in Fluorous 2D Hybrid Perovskites

scientific article published on 28 May 2020

Spatial control of 3D energy transfer in supramolecular nanostructured host-guest architectures.

scientific article published in August 2009

Spatial extent of the singlet and triplet excitons in transition metal‐containing poly‐ynes

article published in 1996

Spin−Orbit Coupling and Intersystem Crossing in Conjugated Polymers: A Configuration Interaction Description

Stable, concentrated, biocompatible, and defect-free graphene dispersions with positive charge

scientific article published on 03 June 2020

Stiffness versus architecture of single helical polyisocyanopeptides

article by Arend M. van Buul et al published 2013 in Chemical Science

Structural and Spectroscopic Properties of Assemblies of Self-Replicating Peptide Macrocycles.

scientific article published on 19 July 2017

Structural correlations in the generation of polaron pairs in low-bandgap polymers for photovoltaics

scientific article published in Nature Communications

Structure-property relationships for three-photon absorption in stilbene-based dipolar and quadrupolar chromophores

scientific article published on 01 July 2006

Sulfur-annulated hexa-peri-hexabenzocoronene decorated with phenylthio groups at the periphery

scientific article published on 22 January 2015

Superexchange-mediated electronic energy transfer in a model dyad

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Supramolecular organization and charge transport properties of self-assembled π-π stacks of perylene diimide dyes

scientific article published on 01 March 2011

Surface-induced diastereomeric complex formation of a nucleoside at the liquid/solid interface: stereoselective recognition and preferential adsorption

scientific article published on 19 June 2013

Synthesis and Characterization of Dinuclear Metal σ-Acetylides and Mononuclear Metal σ-Allenylidenes

scientific article published in July 1998

Synthesis and Photophysics of Coaxial Threaded Molecular Wires: Polyrotaxanes with Triarylamine Jackets

Synthesis and optical properties of pyrrolo[3,2-b]pyrrole-2,5(1H,4H)-dione (iDPP)-based molecules

scientific article published on 21 March 2013

Synthesis of Nitrogen-Doped ZigZag-Edge Peripheries: Dibenzo-9a-azaphenalene as Repeating Unit

scholarly article by Reinhard Berger et al published 11 August 2014 in Angewandte Chemie International Edition

Synthesis of stable free base secochlorins and their corresponding metal complexes from meso-tetraarylporphyrin derivatives.

scientific article published on 29 February 2012

Synthesis, Crystal Structure, and Electronic Structure of a 5,15-Dialkylideneporphyrin: A TCNQ/Porphyrin Hybrid

article

Synthesis, spectroscopy, crystal structure determination, and quantum chemical calculations of BODIPY dyes with increasing conformational restriction and concomitant red-shifted visible absorption and fluorescence spectra

scientific article published on September 2010

Synthesis, spectroscopy, crystal structure, electrochemistry, and quantum chemical and molecular dynamics calculations of a 3-anilino difluoroboron dipyrromethene dye.

scientific article

The Impact of Molecular Orientation on the Photovoltaic Properties of a Phthalocyanine/Fullerene Heterojunction

The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors

scientific article

The Singlet–Triplet Exchange Energy in Conjugated Polymers

article published in 2004

The dominant one- and two-photon excited states in the nonlinear optical response of octatetraene: ab initio versus semiempirical theoretical descriptions

The entangled triplet pair state in acene and heteroacene materials

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The massive exploitation of fossil fuels

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The nature of singlet excitons in oligoacene molecular crystals

scientific article published on 01 May 2011

Theoretical Characterization and Design of End-Substituted Distyrylbenzenes as Excitation Shuttles in One-Dimensional Channels

scientific article published on 19 July 2004

Theoretical analyses of the effects on the linear and quadratic nonlinear optical properties of N-arylation of pyridinium groups in stilbazolium dyes.

scientific article published in November 2005

Theoretical evolution of the third-order molecular polarizabilities as a function of chain length in thiophene and pyrrole oligomers

Theoretical investigation of the effect of doping on the electronic properties of polyparaphenylene vinylene

Theoretical investigation of the lowest singlet and triplet excited states in oligo(phenylene vinylene)s and oligothiophenes

Theoretical investigation of the lowest singlet and triplet states in poly(paraphenylene vinylene)oligomers

Theoretical study of pyrrole oligomers: Electronic excitations, relaxation energies, and nonlinear optical properties

scientific article published on 01 August 1994

Theoretical study of thiophene oligomers: Electronic excitations, relaxation energies, and nonlinear optical properties

Three-Dimensional Energy Transport in Highly Luminescent Host−Guest Crystals: A Quantitative Experimental and Theoretical Study

scientific article published in July 2007

Three-photon absorption in anthracene-porphyrin-anthracene triads: a quantum-chemical study

scientific article published in December 2004

To Hop or Not to Hop? Understanding the Temperature Dependence of Spectral Diffusion in Organic Semiconductors.

scientific article published on 3 May 2013

Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods

scientific article published on 28 April 2015

Toward cove-edged low band gap graphene nanoribbons

scientific article published on 4 May 2015

Towards a better understanding of polymer-based light-emitting diodes: a theoretical insight into the basic phenomena

Towards supramolecular electronics

Trap Limited Exciton Transport in Conjugated Polymers

Triphenylamine/Tetracyanobutadiene-based π-Conjugated Push-Pull Molecules End-capped with Arene Platforms: Synthesis, Photophysics, and Photovoltaic Response

scientific article published on 23 July 2020

Tuning conformation, assembly, and charge transport properties of conjugated polymers by printing flow

scientific article published on 09 August 2019

Tuning interchain and intrachain interactions in polyfluorene copolymers

scientific article published on 14 November 2011

Tuning nitrogen species to control the charge carrier concentration in highly doped graphene

scientific article published on 6 January 2016

Tuning the Electronic Structure of Graphene by Molecular Dopants: Impact of the Substrate

scientific article published on 17 August 2015

Tuning the Interfacial Electronic Structure at Organic Heterojunctions by Chemical Design

scientific article published on 14 August 2012

Tuning the Optical and Electrical Properties of Few-Layer Black Phosphorus via Physisorption of Small Solvent Molecules

scientific article published on 13 September 2019

Tuning the Optoelectronic Properties of Two-Dimensional Hybrid Perovskite Semiconductors with Alkyl Chain Spacers

scientific article published on 08 June 2018

Tuning the Work Function of Graphene-on-Quartz with a High Weight Molecular Acceptor

Tuning the electronic coupling in a low-bandgap donor-acceptor copolymer via the placement of side-chains

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Tuning the nature and stability of self-assemblies formed by ester benzene 1,3,5-tricarboxamides: the crucial role played by the substituents

scientific article

Tuning the two-photon absorption response of quadrupolar organic molecules

Two boron atoms versus one: high-performance deep-blue multi-resonance thermally activated delayed fluorescence emitters

Two-Dimensional Self-Assemblies of Thiophene−Fluorenone Conjugated Oligomers on Graphite:  A Joint STM and Molecular Modeling Study

Two-photon absorption in quadrupolar pi-conjugated molecules: influence of the nature of the conjugated bridge and the donor-acceptor separation

scientific article

UV photocurrent spectroscopy in poly(p-phenylene vinylene) and derivatives

UV-vis spectroscopy of the coupling products of the palladium-catalyzed C-H arylation of the BODIPY core.

scientific article published in May 2013

Ultrafast Non-Förster Intramolecular Donor-Acceptor Excitation Energy Transfer.

scientific article published on 24 March 2017

Ultrafast Pump-Push Photocurrent Spectroscopy of Organic Photoconversion Systems

Ultrafast and Highly Sensitive Chemically Functionalized Graphene Oxide Based Humidity Sensors: Harnessing the Device Performances via the Supramolecular Approach

scientific article published on 03 September 2020

Ultrafast photoexcitation dynamics in a ladder-type oligophenyl

scholarly article in Physical Review B, vol. 66 no. 12, September 2002

Uncovering dark multichromophoric states in Peridinin-Chlorophyll-Protein

scientific article published on 18 March 2020

Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons

scientific article published in 2016

Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophene

scientific article published on 25 May 2016

Unraveling the mechanism of molecular doping in organic semiconductors

scientific article published on 23 February 2012

Using circularly polarized luminescence to probe exciton coherence in disordered helical aggregates

scientific article published on 01 July 2008

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules

scientific article published on 29 June 2018

Vibronic coupling in molecular crystals: A Franck-Condon Herzberg-Teller model of H-aggregate fluorescence based on quantum chemical cluster calculations

scientific article published on 21 September 2015

Visible Absorption and Fluorescence Spectroscopy of Conformationally Constrained, Annulated BODIPY Dyes

scientific article published on 21 September 2012

Visualization of membrane rafts using a perylene monoimide derivative and fluorescence lifetime imaging

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Which Oxide for Low-Emissivity Glasses? First-Principles Modeling of Silver Adhesion.

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Work function shifts of a zinc oxide surface upon deposition of self-assembled monolayers: a theoretical insight

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π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener

scientific article published on 8 September 2015

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