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

Nature communications, 2019-02, Vol.10 (1), p.597-597, Article 597

2019

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

The journal of physical chemistry letters, 2016-02, Vol.7 (3), p.536-540

2016

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

Nature communications, 2020-09, Vol.11 (1), p.4617-4617, Article 4617

2020

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Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics

Accounts of chemical research, 2022-12, Vol.55 (24), p.3716-3726

2022

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Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Journal of physics. Condensed matter, 2016-11, Vol.28 (43), p.433002-433002

2016

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Pentacene Crystal Growth on Silica and Layer-Dependent Step-Edge Barrier from Atomistic Simulations

The journal of physical chemistry letters, 2018-12, Vol.9 (23), p.6900-6906

2018

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An atomistic description of the nematic and smectic phases of 4-n-octyl-4' cyanobiphenyl (8CB)

The Journal of chemical physics, 2013-05, Vol.138 (20), p.204901-204901

2013

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Predicting the Conditions for Homeotropic Anchoring of Liquid Crystals at a Soft Surface. 4‑n‑Pentyl-4′-cyanobiphenyl on Alkylsilane Self-Assembled Monolayers

ACS applied materials & interfaces, 2017-04, Vol.9 (13), p.11993-12002

2017

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Towards in Silico Liquid Crystals. Realistic Transition Temperatures and Physical Properties for n‐Cyanobiphenyls via Molecular Dynamics Simulations

Chemphyschem, 2009-01, Vol.10 (1), p.125-136

2009

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From Chiral Islands to Smectic Layers: A Computational Journey Across Sexithiophene Morphologies on C60

Advanced functional materials, 2015-04, Vol.25 (13), p.1985-1995

2015

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Atomistic Simulation of Phase Transitions and Charge Mobility for the Organic Semiconductor Ph-BTBT-C10

Chemistry of materials, 2019-09, Vol.31 (17), p.7092-7103

2019

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Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations

Molecules (Basel, Switzerland), 2023-06, Vol.28 (12), p.4742

2023

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Dynamic nature of excited states of donor–acceptor TADF materials for OLEDs: how theory can reveal structure–property relationships

Journal of materials chemistry. C, Materials for optical and electronic devices, 2017, Vol.5 (23), p.5718-5729

2017

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

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (38), p.2279-229

2014

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Energetics of Electron–Hole Separation at P3HT/PCBM Heterojunctions

Journal of physical chemistry. C, 2013-06, Vol.117 (25), p.12981-12990

2013

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Surface Supramolecular Organization of a Terbium(III) Double-Decker Complex on Graphite and its Single Molecule Magnet Behavior

Journal of the American Chemical Society, 2011-05, Vol.133 (17), p.6603-6612

2011

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

Journal of chemical theory and computation, 2014-11, Vol.10 (11), p.4959-4971

2014

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Field response and switching times in biaxial nematics

The Journal of chemical physics, 2008-01, Vol.128 (2), p.024905-024905-12

2008

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

Chemistry of materials, 2011-02, Vol.23 (3), p.591-609

2011

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Self-organization of complete organic monolayers via sequential post-deposition annealing

Progress in organic coatings, 2020-01, Vol.138, p.105408, Article 105408

2020

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

ACS applied materials & interfaces, 2018-10, Vol.10 (39), p.33360-33372

2018

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Ambipolarity and Dimensionality of Charge Transport in Crystalline Group 14 Phthalocyanines: A Computational Study

Journal of physical chemistry. C, 2018-02, Vol.122 (5), p.2554-2563

2018

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Predicting the Anchoring of Liquid Crystals at a Solid Surface: 5‑Cyanobiphenyl on Cristobalite and Glassy Silica Surfaces of Increasing Roughness

Langmuir, 2013-07, Vol.29 (28), p.8950-8958

2013

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Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulation

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (39), p.26149-26159

2015

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Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility

The Journal of chemical physics, 2017-10, Vol.147 (13), p.134904-134904

2017

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

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

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

Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics

Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Pentacene Crystal Growth on Silica and Layer-Dependent Step-Edge Barrier from Atomistic Simulations

An atomistic description of the nematic and smectic phases of 4-n-octyl-4' cyanobiphenyl (8CB)

Predicting the Conditions for Homeotropic Anchoring of Liquid Crystals at a Soft Surface. 4‑n‑Pentyl-4′-cyanobiphenyl on Alkylsilane Self-Assembled Monolayers

Towards in Silico Liquid Crystals. Realistic Transition Temperatures and Physical Properties for n‐Cyanobiphenyls via Molecular Dynamics Simulations

From Chiral Islands to Smectic Layers: A Computational Journey Across Sexithiophene Morphologies on C60

Atomistic Simulation of Phase Transitions and Charge Mobility for the Organic Semiconductor Ph-BTBT-C10

Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations

Dynamic nature of excited states of donor–acceptor TADF materials for OLEDs: how theory can reveal structure–property relationships

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

Energetics of Electron–Hole Separation at P3HT/PCBM Heterojunctions

Surface Supramolecular Organization of a Terbium(III) Double-Decker Complex on Graphite and its Single Molecule Magnet Behavior

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

Field response and switching times in biaxial nematics

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

Self-organization of complete organic monolayers via sequential post-deposition annealing

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

Ambipolarity and Dimensionality of Charge Transport in Crystalline Group 14 Phthalocyanines: A Computational Study

Predicting the Anchoring of Liquid Crystals at a Solid Surface: 5‑Cyanobiphenyl on Cristobalite and Glassy Silica Surfaces of Increasing Roughness

Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulation

Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility

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