List of works by Veaceslav Coropceanu

A New Class of Mixed-Valence Systems with Orbitally Degenerate Organic Redox Centers. Examples Based on Hexa-Rhenium Molecular Prisms

scientific article published on 01 October 2006

A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells

article

A mixed-valence bis(diarylamino)stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues.

scientific article

An anionic organic mixed-valence system with a remarkably well-resolved vibrational structure in its intervalence band

scientific article published on 01 January 2003

Assessing the nature of the charge-transfer electronic states in organic solar cells

scientific article published in Nature Communications

Benchmarking Density Functional Theory Approaches for the Description of Symmetry Breaking in Long Polymethine Dyes

Bis[bis-(4-alkoxyphenyl)amino] derivatives of dithienylethene, bithiophene, dithienothiophene and dithienopyrrole: palladium-catalysed synthesis and highly delocalised radical cations

scientific article published on 01 January 2007

Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation

scientific article published on 12 May 2014

Borderline Class II/III Ligand-Centered Mixed Valency in a Porphyrinic Molecular Rectangle

scientific article published on 01 August 2005

Characterizing the Polymer:Fullerene Intermolecular Interactions

Charge transport in organic semiconductors

scientific article published on 23 March 2007

Charge transport parameters of the pentathienoacene crystal

scientific article published on 4 October 2007

Charge transport properties in discotic liquid crystals: a quantum-chemical insight into structure-property relationships

scientific article published in March 2004

Charge-Transfer States in Organic Solar Cells: Understanding the Impact of Polarization, Delocalization, and Disorder

scientific article published on 8 May 2017

Charge-Transport Properties of the Tetraphenylbis(indolo[1,2-a])quinoline and 5,7-Diphenylindolo[1,2-a]quinoline Crystals

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

scientific article published on 01 November 2004

Closely stacked oligo(phenylene ethynylene)s: effect of π-stacking on the electronic properties of conjugated chromophores

scientific article published on 12 April 2012

Correction to "Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion".

scientific article published on 8 March 2013

Correlating Non-Geminate Recombination with Film Structure: A Comparison of Polythiophene: Fullerene Bilayer and Blend Films

scientific article published on 14 October 2014

Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

scientific article published on 15 May 2014

Delocalization in platinum-alkynyl systems: a metal-bridged organic mixed-valence compound

scientific article published on 01 September 2004

Delocalization of exciton and electron wavefunction in non-fullerene acceptor molecules enables efficient organic solar cells

scientific article published on 07 August 2020

Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model

scientific article published on 24 June 2016

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

Design of efficient ambipolar host materials for organic blue electrophosphorescence: theoretical characterization of hosts based on carbazole derivatives

scientific article published on 13 October 2011

Design rules for minimizing voltage losses in high-efficiency organic solar cells

scientific article published on 16 July 2018

Dipolar Second-Order Nonlinear Optical Chromophores Containing Ferrocene, Octamethylferrocene, and Ruthenocene Donors and Strong π-Acceptors: Crystal Structures and Comparison of π-Donor Strengths

scientific article published on January 2009

Donor Conjugated Polymers with Polar Side Chain Groups: The Role of Dielectric Constant and Energetic Disorder on Photovoltaic Performance

Effect of Solid-State Polarization on Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional.

scientific article

Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors

scientific article published on 01 August 2006

Electron-phonon coupling in anthracene-pyromellitic dianhydride

scientific article published in June 2017

Electronic Properties of 1,5-Diaminonaphthalene:Tetrahalo-1,4-benzoquinone Donor–Acceptor Cocrystals

Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals

article

Electronic and Charge-Transport Properties of the Au3(CH3N═COCH3)3 Crystal: A Density Functional Theory Study

Electronic and optical properties of 4H-cyclopenta[2,1-b:3,4-b']bithiophene derivatives and their 4-heteroatom-substituted analogues: a joint theoretical and experimental comparison.

scientific article published on 16 April 2010

Electronic coupling in tetraanisylarylenediamine mixed-valence systems: the interplay between bridge energy and geometric factors

scientific article published in June 2005

Electronic couplings in organic mixed-valence compounds: the contribution of photoelectron spectroscopy

scientific article published on 01 March 2004

Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study.

scientific article published in January 2010

Electronic structure of self-assembled (fluoro)methylthiol monolayers on the Au(111) surface: Impact of fluorination and coverage density

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

scientific article published in October 2017

Excited-state properties and emission spectra of nonplanar heterocyclic helicenes

scientific article published on 01 September 2006

Exciton-Dissociation and Charge-Recombination Processes in Pentacene/C60 Solar Cells: Theoretical Insight into the Impact of Interface Geometry

scientific article published on 01 November 2009

Experimental Reorganization Energies of Pentacene and Perfluoropentacene: Effects of Perfluorination

Factors Governing Intercalation of Fullerenes and Other Small Molecules Between the Side Chains of Semiconducting Polymers Used in Solar Cells

Hexaazatriphenylene (HAT) versus tri-HAT: The Bigger the Better?

scientific article published on 17 August 2011

High stability and luminescence efficiency in donor-acceptor neutral radicals not following the Aufbau principle

scientific article published on 22 July 2019

Hole-vibronic coupling in oligothiophenes: impact of backbone torsional flexibility on relaxation energies.

scientific article published in June 2007

Homo-/heterotrinuclear mixed-valent oxo-centered iron/nickel clusters-Mössbauer studies on internal electron-exchange processes

scientific article published in October 2005

Impact of Electron Delocalization on the Nature of the Charge-Transfer States in Model Pentacene/C60 Interfaces: A Density Functional Theory Study

article

Impact of Phonon Dispersion on Nonlocal Electron–Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study

Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals

scholarly article in Physical Review B, vol. 90 no. 16, October 2014

Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency.

scientific article

Impact of perfluorination on the charge-transport parameters of oligoacene crystals

scientific article published in February 2009

Impact of secondary donor units on the excited-state properties and thermally activated delayed fluorescence (TADF) efficiency of pentacarbazole-benzonitrile emitters

scientific article published on 01 October 2020

Interaction of Charge Carriers with Lattice Vibrations in Organic Molecular Semiconductors: Naphthalene as a Case Study

article

Interaction of charge carriers with lattice vibrations in oligoacene crystals from naphthalene to pentacene

scientific article published on October 2010

Intersystem Crossing Processes in Nonplanar Aromatic Heterocyclic Molecules

scientific article published on 02 October 2007

Intervalence transitions in the mixed-valence monocations of bis(triarylamines) linked with vinylene and phenylene-vinylene bridges

scientific article published in December 2005

Intramolecular electron-transfer rates in mixed-valence triarylamines: measurement by variable-temperature ESR spectroscopy and comparison with optical data

scientific article

Intramolecular reorganization energy in zinc phthalocyanine and its fluorinated derivatives: a joint experimental and theoretical study

scientific article published on 01 July 2013

Intrinsic charge transport in single crystals of organic molecular semiconductors: A theoretical perspective

article

Ion-modulated radical doping of spiro-OMeTAD for more efficient and stable perovskite solar cells

scientific article published on 29 July 2022

Isolation and crystal structures of two singlet bis(triarylamine) dications with nonquinoidal geometries

scientific article

Langmuir-Blodgett Thin Films of Diketopyrrolopyrrole-Based Amphiphiles

scientific article published on 30 March 2018

Mode-selective vibrational modulation of charge transport in organic electronic devices. ⬇️

scientific article published on 6 August 2015

Molecular understanding of organic solar cells: the challenges

scientific article published on 01 November 2009

Nonlocal electron-phonon coupling in organic semiconductor crystals: the role of acoustic lattice vibrations

scientific article published in May 2013

Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Γ-point approximation

article

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

Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport

article

Organic Neutral Radical Emitters: Impact of Chemical Substitution and Electronic-State Hybridization on the Luminescence Properties

scientific article published on 30 September 2020

Organic thin films with charge-carrier mobility exceeding that of single crystals

article

Organic transistors: a polarized response

scientific article published on 01 December 2006

Packing and Disorder in Substituted Fullerenes

Photophysical properties of an alkyne-bridged bis(zinc porphyrin)-perylene bis(dicarboximide) derivative

scientific article published in October 2009

Polymorphism in the 1:1 Charge-Transfer Complex DBTTF-TCNQ and Its Effects on Optical and Electronic Properties

scientific article published on 14 September 2016

Prediction of Remarkable Ambipolar Charge-Transport Characteristics in Organic Mixed-Stack Charge-Transfer Crystals

article

Probing charge transport in pi-stacked fluorene-based systems

scientific article published on 01 May 2006

Stabilisation of a heptamethine cyanine dye by rotaxane encapsulation

scientific article published on 22 April 2008

Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes.

scientific article published on 4 September 2015

Symmetry effects on nonlocal electron-phonon coupling in organic semiconductors

article

Temperature-Mediated Polymorphism in Molecular Crystals: The Impact on Crystal Packing and Charge Transport

article published in 2015

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

The vibrational reorganization energy in pentacene: molecular influences on charge transport

scientific article published in July 2002

Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals.

scientific article published on June 2014

Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: a brief review

article

Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors

scientific article published on 01 September 2011

To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?

Triisopropylsilylethynyl-functionalized graphene-like fragment semiconductors: synthesis, crystal packing, and density functional theory calculations

scientific article published on 01 December 2013

Tuning delocalization in the radical cations of 1,4-bis[4-(diarylamino)styryl]benzenes, 2,5-bis[4-(diarylamino)styryl]thiophenes, and 2,5-bis[4-(diarylamino)styryl]pyrroles through substituent effects

scientific article published on 11 June 2012

Ultralow Doping in Organic Semiconductors: Evidence of Trap Filling

scientific article published in Physical Review Letters

Understanding the Density Functional Dependence of DFT-Calculated Electronic Couplings in Organic Semiconductors

scientific article published on 7 March 2013

Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems

scientific article published in June 2017

Up-Conversion Intersystem Crossing Rates in Organic Emitters for Thermally Activated Delayed Fluorescence: Impact of the Nature of Singlet vs Triplet Excited States

scientific article

Vibration-assisted crystallization improves organic/dielectric interface in organic thin-film transistors

scientific article published on 23 September 2013

Vibronic coupling in organic semiconductors: the case of fused polycyclic benzene-thiophene structures

scientific article published on 01 February 2006

Vibronic coupling in the ground and excited states of oligoacene cations

scientific article published on 01 September 2006

Vibronic coupling in the ground and excited states of the naphthalene cation

scientific article

π-stacked oligo(phenylene vinylene)s based on pseudo-geminal substituted [2.2]paracyclophanes: impact of interchain geometry and interactions on the electronic properties.

scientific article

Paulina is supported by:

About Paulina

Help