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Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

Journal of chemical theory and computation, 2011-03, Vol.7 (3), p.602-609

2011

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Can Fluorenone-Based Compounds Emit in the Blue Region? Impact of the Conjugation Length and the Ground-State Aggregation

Chemistry of materials, 2017-02, Vol.29 (4), p.1695-1707

2017

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Structure Properties Relationship of Donor–Acceptor Derivatives of Triphenylamine and 1,8-Naphthalimide

Journal of physical chemistry. C, 2012-07, Vol.116 (28), p.14811-14819

2012

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Structure and Disorder in Squaraine-C60 Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor-Acceptor Interface

Advanced functional materials, 2014-06, Vol.24 (24), p.3790-3798

2014

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Preferential C-Binding versus N-Binding in Imidazole Depends on the Metal Fragment Involved

Inorganic chemistry, 2002-02, Vol.41 (3), p.602-604

2002

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Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

Theoretical chemistry accounts, 2012-10, Vol.131 (10), Article 1273

2012

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Evolution of the Nature of Excitons and Electronic Couplings in Hybrid 2D Perovskites as a Function of Organic Cation π‐Conjugation

Advanced functional materials, 2022-03, Vol.32 (10), p.n/a

2022

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Effect of Ethynyl Linkages on the Properties of the Derivatives of Triphenylamine and 1,8-Naphthalimide

Journal of physical chemistry. C, 2015-12, Vol.119 (51), p.28335-28346

2015

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Sensitivity of Redox and Optical Properties of Electroactive Carbazole Derivatives to the Molecular Architecture and Methoxy Substitutions

Journal of physical chemistry. C, 2018-05, Vol.122 (18), p.10138-10152

2018

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Structure-properties relationship of carbazole and fluorene hybrid trimers: experimental and theoretical approaches

Physical chemistry chemical physics : PCCP, 2014-07, Vol.16 (27), p.13932-13942

2014

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Processable Star-Shaped Molecules with Triphenylamine Core as Hole-Transporting Materials: Experimental and Theoretical Approach

Journal of physical chemistry. C, 2012-02, Vol.116 (5), p.3765-3772

2012

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Interfacial and bulk properties of hole transporting materials in perovskite solar cells: spiro-MeTAD versus spiro-OMeTAD

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-01, Vol.8 (17), p.8527-8539

2020

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On the Molecular Origin of Charge Separation at the Donor–Acceptor Interface

Advanced energy materials, 2018-04, Vol.8 (12), p.n/a

2018

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Additives-free indolo[3,2-b]carbazole-based hole-transporting materials for perovskite solar cells with three yeses: Stability, efficiency, simplicity

Nano energy, 2022-10, Vol.101, p.107618, Article 107618

2022

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Assessing the effects of increasing conjugation length on exciton diffusion: from small molecules to the polymeric limit

Physical chemistry chemical physics : PCCP, 2021-07, Vol.23 (29), p.15635-15644

2021

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Controlled n‐Doping of Naphthalene‐Diimide‐Based 2D Polymers

Advanced materials (Weinheim), 2022-06, Vol.34 (22), p.e2101932-n/a

2022

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Star-Shaped Carbazole Derivatives for Bilayer White Organic Light-Emitting Diodes Combining Emission from Both Excitons and Exciplexes

Journal of physical chemistry. C, 2012-10, Vol.116 (39), p.20769-20778

2012

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Synthesis and properties of twin derivatives of triphenylamine and carbazole

Journal of photochemistry and photobiology. A, Chemistry., 2017-05, Vol.340, p.62-69

2017

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Charge Delocalization through Benzene, Naphthalene, and Anthracene Bridges in π‑Conjugated Oligomers: An Experimental and Quantum Chemical Study

The journal of physical chemistry. B, 2013-05, Vol.117 (20), p.6304-6317

2013

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Influence of methoxy groups on the properties of 1,1-bis(4-aminophenyl)cyclohexane based arylamines: experimental and theoretical approach

Journal of materials chemistry, 2012-01, Vol.22 (7), p.3015-3027

2012

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Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

Can Fluorenone-Based Compounds Emit in the Blue Region? Impact of the Conjugation Length and the Ground-State Aggregation

Structure Properties Relationship of Donor–Acceptor Derivatives of Triphenylamine and 1,8-Naphthalimide

Structure and Disorder in Squaraine-C60 Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor-Acceptor Interface

Preferential C-Binding versus N-Binding in Imidazole Depends on the Metal Fragment Involved

Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

Evolution of the Nature of Excitons and Electronic Couplings in Hybrid 2D Perovskites as a Function of Organic Cation π‐Conjugation

Effect of Ethynyl Linkages on the Properties of the Derivatives of Triphenylamine and 1,8-Naphthalimide

Sensitivity of Redox and Optical Properties of Electroactive Carbazole Derivatives to the Molecular Architecture and Methoxy Substitutions

Structure-properties relationship of carbazole and fluorene hybrid trimers: experimental and theoretical approaches

Processable Star-Shaped Molecules with Triphenylamine Core as Hole-Transporting Materials: Experimental and Theoretical Approach

Interfacial and bulk properties of hole transporting materials in perovskite solar cells: spiro-MeTAD versus spiro-OMeTAD

On the Molecular Origin of Charge Separation at the Donor–Acceptor Interface

Additives-free indolo[3,2-b]carbazole-based hole-transporting materials for perovskite solar cells with three yeses: Stability, efficiency, simplicity

Assessing the effects of increasing conjugation length on exciton diffusion: from small molecules to the polymeric limit

Controlled n‐Doping of Naphthalene‐Diimide‐Based 2D Polymers

Star-Shaped Carbazole Derivatives for Bilayer White Organic Light-Emitting Diodes Combining Emission from Both Excitons and Exciplexes

Synthesis and properties of twin derivatives of triphenylamine and carbazole

Charge Delocalization through Benzene, Naphthalene, and Anthracene Bridges in π‑Conjugated Oligomers: An Experimental and Quantum Chemical Study

Influence of methoxy groups on the properties of 1,1-bis(4-aminophenyl)cyclohexane based arylamines: experimental and theoretical approach

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