List of works - Yoann Olivier

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

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 Deep‐Blue‐Emitting Heteroatom‐Doped MR‐TADF Nonacene for High‐Performance Organic Light‐Emitting Diodes**

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

Application of rubrene air-gap transistors as sensitive MEMS physical sensors

article

Approaching disorder-free transport in high-mobility conjugated polymers

scientific article

Asymmetric electron and hole transport in a high-mobilityn-type conjugated polymer

scholarly article in Physical Review B, vol. 86 no. 16, October 2012

Benzodicarbomethoxytetrathiafulvalene derivatives as soluble organic semiconductors

scientific article published on 24 November 2010

Bulky end-capped [1]benzothieno[3,2-b]benzothiophenes: reaching high-mobility organic semiconductors by fine tuning of the crystalline solid-state order

scientific article published on 09 April 2015

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

scientific article published on 14 March 2018

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 Transport in Conjugated Materials: From Theoretical Models to Experimental Systems

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 hopping in organic semiconductors: influence of molecular parameters on macroscopic mobilities in model one-dimensional stacks

scientific article published on 01 May 2006

Charge transport in organic semiconductors

scientific article published on 23 March 2007

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

scientific article published on 31 May 2013

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

scientific article published on 9 July 2018

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

Computational Studies of Molecular Materials for Unconventional Energy Conversion: The Challenge of Light Emission by Thermally Activated Delayed Fluorescence

scientific article published on 24 February 2020

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

Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials

scientific article published on 01 July 2015

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

scientific article published on 7 September 2018

Determining the cohesive energy of coronene by dispersion-corrected DFT methods: periodic boundary conditions vs. molecular pairs

scientific article published on 01 February 2015

Donor-acceptor stacking arrangements in bulk and thin-film high-mobility conjugated polymers characterized using molecular modelling and MAS and surface-enhanced solid-state NMR spectroscopy

scientific article published on 14 February 2017

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

Estimation of π-π Electronic Couplings from Current Measurements

scientific article published on 30 March 2017

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

scientific article

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

article

Free radical scavenging by natural polyphenols: atom versus electron transfer

scientific article published on 05 March 2013

Hall-Effect Measurements Probing the Degree of Charge-Carrier Delocalization in Solution-Processed Crystalline Molecular Semiconductors

scientific article published in Physical Review Letters

Highly Luminescent 2D-Type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials

scientific article published on 26 July 2017

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

scientific article published in Nature Communications

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

scientific article published in September 2009

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

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

Luminescent Dinuclear Copper(I) Complexes Bearing an Imidazolylpyrimidine Bridging Ligand

scientific article published on 01 September 2020

Maximizing Singlet Fission by Intermolecular Packing

scientific article published on 17 September 2014

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

Molecular packing and charge transport parameters in crystalline organic semiconductors from first-principles calculations.

scientific article published on 7 July 2010

Negative Singlet-Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting

scientific article published on 05 January 2021

Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods

scientific article published on 01 May 2013

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

article

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

scientific article published on 21 March 2017

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

scientific article published on 08 April 2019

Photoluminescence and electrochemiluminescence of thermally activated delayed fluorescence (TADF) emitters containing diphenylphosphine chalcogenide-substituted carbazole donors

Polarizability and internal charge transfer in thiophene-triphenylamine hybrid π-conjugated systems

scientific article published on 07 July 2011

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

scientific article published in Nature Communications

Quinquephenyl: The Simplest Rigid-Rod-Like Nematic Liquid Crystal, or is it? An Atomistic Simulation

article

Reliable DFT-based estimates of cohesive energies of organic solids: the anthracene crystal

scientific article published in November 2012

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

scientific article published on 5 March 2018

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

scientific article published on 13 June 2019

Singlet-triplet excited-state inversion in heptazine and related molecules: assessment of TD-DFT and ab initio methods

scientific article published on 16 December 2020

Structural and Charge-Transport Properties of a Liquid-Crystalline α,ω-Disubstituted Thiophene Derivative: A Joint Experimental and Theoretical Study

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

scientific article published on 01 March 2011

Temperature Dependence of Charge Localization in High-Mobility, Solution-Crystallized Small Molecule Semiconductors Studied by Charge Modulation Spectroscopy

article published in 2015

The nature of singlet excitons in oligoacene molecular crystals

scientific article published on 01 May 2011

Theoretical Characterization of Charge Transport in One-Dimensional Collinear Arrays of Organic Conjugated Molecules

scientific article published on 9 March 2010

Theoretical characterization of the structural and hole transport dynamics in liquid-crystalline phthalocyanine stacks.

scientific article published in October 2009

Theoretical rationalization of the singlet-triplet gap in OLEDs materials: impact of charge-transfer character

scientific article published in January 2015

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

scientific article published on 09 August 2019

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

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

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules

scientific article published on 29 June 2018

List of works by Yoann Olivier

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

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

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

A Deep‐Blue‐Emitting Heteroatom‐Doped MR‐TADF Nonacene for High‐Performance Organic Light‐Emitting Diodes**

A Deep‐Blue‐Emitting Heteroatom‐Doped MR‐TADF Nonacene for High‐Performance Organic Light‐Emitting Diodes**

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

Application of rubrene air-gap transistors as sensitive MEMS physical sensors

Approaching disorder-free transport in high-mobility conjugated polymers

Asymmetric electron and hole transport in a high-mobilityn-type conjugated polymer

Benzodicarbomethoxytetrathiafulvalene derivatives as soluble organic semiconductors

Bulky end-capped [1]benzothieno[3,2-b]benzothiophenes: reaching high-mobility organic semiconductors by fine tuning of the crystalline solid-state order

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

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)

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

Charge Transport in Conjugated Materials: From Theoretical Models to Experimental Systems

Charge Transport in Organic Semiconductors: A Multiscale Modeling

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

Charge hopping in organic semiconductors: influence of molecular parameters on macroscopic mobilities in model one-dimensional stacks

Charge transport in organic semiconductors

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

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

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

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

Computational Studies of Molecular Materials for Unconventional Energy Conversion: The Challenge of Light Emission by Thermally Activated Delayed Fluorescence

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

Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials

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

Determining the cohesive energy of coronene by dispersion-corrected DFT methods: periodic boundary conditions vs. molecular pairs

Donor-acceptor stacking arrangements in bulk and thin-film high-mobility conjugated polymers characterized using molecular modelling and MAS and surface-enhanced solid-state NMR spectroscopy

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

Estimation of π-π Electronic Couplings from Current Measurements

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

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

Free radical scavenging by natural polyphenols: atom versus electron transfer

Hall-Effect Measurements Probing the Degree of Charge-Carrier Delocalization in Solution-Processed Crystalline Molecular Semiconductors

Highly Luminescent 2D-Type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials

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

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

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

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

Luminescent Dinuclear Copper(I) Complexes Bearing an Imidazolylpyrimidine Bridging Ligand

Maximizing Singlet Fission by Intermolecular Packing

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

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

Molecular packing and charge transport parameters in crystalline organic semiconductors from first-principles calculations.

Negative Singlet-Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting

Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods

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

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

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

Photoluminescence and electrochemiluminescence of thermally activated delayed fluorescence (TADF) emitters containing diphenylphosphine chalcogenide-substituted carbazole donors

Polarizability and internal charge transfer in thiophene-triphenylamine hybrid π-conjugated systems

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

Quinquephenyl: The Simplest Rigid-Rod-Like Nematic Liquid Crystal, or is it? An Atomistic Simulation

Reliable DFT-based estimates of cohesive energies of organic solids: the anthracene crystal

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

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

Singlet-triplet excited-state inversion in heptazine and related molecules: assessment of TD-DFT and ab initio methods

Structural and Charge-Transport Properties of a Liquid-Crystalline α,ω-Disubstituted Thiophene Derivative: A Joint Experimental and Theoretical Study

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

Temperature Dependence of Charge Localization in High-Mobility, Solution-Crystallized Small Molecule Semiconductors Studied by Charge Modulation Spectroscopy

The nature of singlet excitons in oligoacene molecular crystals

Theoretical Characterization of Charge Transport in One-Dimensional Collinear Arrays of Organic Conjugated Molecules

Theoretical characterization of the structural and hole transport dynamics in liquid-crystalline phthalocyanine stacks.

Theoretical rationalization of the singlet-triplet gap in OLEDs materials: impact of charge-transfer character

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

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

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

Unraveling the mechanism of molecular doping in organic semiconductors

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules