Lista de obras - Chad Risko - Dominio Público Uruguay

25th anniversary article: Design of polymethine dyes for all-optical switching applications: guidance from theoretical and computational studies

artículo científico

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

artículo científico publicado en 2005

Algorithm 1025: PARyOpt: A Software for P arallel A synchronous R emote Ba y esian Opt imization

scientific article published on 19 July 2022

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

artículo científico publicado en 2003

An unsymmetrical non-fullerene acceptor: synthesis via direct heteroarylation, self-assembly, and utility as a low energy absorber in organic photovoltaic cells.

artículo científico publicado en 2017

Benzo[1,2-b:6,5-b′]dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport

Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence

article by Bilal R. Kaafarani et al published 2013 in Journal of Materials Chemistry C

Bond Ellipticity Alternation: An Accurate Descriptor of the Nonlinear Optical Properties of π-Conjugated Chromophores.

artículo científico publicado en 2018

Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]

Characterizing the Polymer:Fullerene Intermolecular Interactions

Charge delocalization through benzene, naphthalene, and anthracene bridges in π-conjugated oligomers: an experimental and quantum chemical study

artículo científico publicado en 2013

Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core

artículo científico publicado en 2019

Controlled conjugated backbone twisting for an increased open-circuit voltage while having a high short-circuit current in poly(hexylthiophene) derivatives

artículo científico publicado en 2012

Deconstructing the behavior of donor-acceptor copolymers in solution & the melt: the case of PTB7

artículo científico publicado en 2019

Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach

scientific article published on 29 January 2020

Dimers of Nineteen-Electron Sandwich Compounds: Crystal and Electronic Structures, and Comparison of Reducing Strengths

artículo científico publicado en 2014

Distinguishing the Effects of Bond-Length Alternation versus Bond-Order Alternation on the Nonlinear Optical Properties of π-Conjugated Chromophores.

artículo científico publicado en 2015

Dynamics, Miscibility, and Morphology in Polymer:Molecule Blends: The Impact of Chemical Functionality

Effect of Bulky Substituents on Thiopyrylium Polymethine Aggregation in the Solid State: A Theoretical Evaluation of the Implications for All-Optical Switching Applications

Effect of Solvent Additives on the Solution Aggregation of Phenyl-C61–Butyl Acid Methyl Ester (PCBM)

Electron affinities of 1,1-diaryl-2,3,4,5-tetraphenylsiloles: direct measurements and comparison with experimental and theoretical estimates

artículo científico publicado en 2005

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

artículo científico publicado en 2005

Engineering ligand reactivity enables high-temperature operation of stable perovskite solar cells

scientific article published on 13 July 2023

Entanglements in P3HT and their influence on thin-film mechanical properties: Insights from molecular dynamics simulations

Even–Odd Alkyl Chain-Length Alternation Regulates Oligothiophene Crystal Structure

artículo científico publicado en 2019

Exploiting Excited-State Aromaticity To Design Highly Stable Singlet Fission Materials

scientific article published on 22 August 2019

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

Festschrift in Honor of Prof. Jean-Luc Brédas on His 65th Birthday

artículo científico publicado en 2019

Fluorenyl-substituted silole molecules: geometric, electronic, optical, and device properties

Fullerene-carbene Lewis acid-base adducts.

artículo científico publicado en 2011

Geometric and chelation influences on the electronic structure and optical properties of tetra(carboxylic acid)phenyleneethynylene dyes.

artículo científico publicado en 2008

High charge-carrier mobility in an amorphous hexaazatrinaphthylene derivative.

artículo científico publicado en 2005

Impact of Bulk Aggregation on the Electronic Structure of Streptocyanines: Implications for the Solid-State Nonlinear Optical Properties and All-Optical Switching Applications

Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors

artículo científico publicado en 2016

Impact of molecular packing on electronic polarization in organic crystals: the case of pentacene vs TIPS-pentacene.

artículo científico publicado en 2014

Impact of the Nature of the Excited-State Transition Dipole Moments on the Third-Order Nonlinear Optical Response of Polymethine Dyes for All-Optical Switching Applications

Influence of Molecular Shape on Solid-State Packing in Disordered PC61BM and PC71BM Fullerenes

scientific article published on 24 September 2014

Intermixing at the pentacene-fullerene bilayer interface: a molecular dynamics study

artículo científico publicado en 2012

Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor–acceptor conjugated polymers

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

artículo científico publicado en 2005

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

artículo científico publicado en 2006

Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends

artículo científico publicado en 2015

Mono- and dicarbonyl-bridged tricyclic heterocyclic acceptors: synthesis and electronic properties

artículo científico publicado en 2011

Near-Infrared-Absorbing Indolizine-Porphyrin Push-Pull Dye for Dye-Sensitized Solar Cells

artículo científico publicado en 2019

Noncovalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals

Noncovalent Interactions in Organic Electronic Materials

article

Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes

Nonlinear Optical Properties of X(C6H5)4 (X = B–, C, N+, P+): A New Class of Molecules with a Negative Third-Order Polarizability

scientific article published on 23 July 2015

Organic semiconductors: Healing contact.

artículo científico publicado en 2013

Oxidation Pathways Involving a Sulfide-Endcapped Donor-Acceptor-Donor π-Conjugated Molecule and Antimony(V) Chloride

artículo científico publicado en 2019

Packing and Disorder in Substituted Fullerenes

Polarization Energies at Organic-Organic Interfaces: Impact on the Charge Separation Barrier at Donor-Acceptor Interfaces in Organic Solar Cells

artículo científico publicado en 2016

Polymethine materials with solid-state third-order optical susceptibilities suitable for all-optical signal-processing applications

Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs

artículo científico publicado en 2018

Rational Functionalization of a C70 Buckybowl To Enable a C70:Buckybowl Cocrystal for Organic Semiconductor Applications

artículo científico publicado en 2020

Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties

Rubrene: The Interplay between Intramolecular and Intermolecular Interactions Determines the Planarization of Its Tetracene Core in the Solid State.

artículo científico publicado en 2015

Small optical gap molecules and polymers: using theory to design more efficient materials for organic photovoltaics.

artículo científico publicado en 2014

Steric Manipulation as a Mechanism for Tuning the Reduction and Oxidation Potentials of Phenothiazines

scientific article published on 05 January 2021

Strain effects on the work function of an organic semiconductor

artículo científico publicado en 2016

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

article

Substrate-induced variations of molecular packing, dynamics, and intermolecular electronic couplings in pentacene monolayers on the amorphous silica dielectric

artículo científico publicado en 2014

Synthesis, Ionisation Potentials and Electron Affinities of Hexaazatrinaphthylene Derivatives

artículo científico publicado en 2007

Synthetic principles directing charge transport in low-band-gap dithienosilole-benzothiadiazole copolymers

artículo científico publicado en 2012

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

article

Three-dimensional packing structure and electronic properties of biaxially oriented poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) films

artículo científico publicado en 2012

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

Transition from tunneling to hopping transport in long, conjugated oligo-imine wires connected to metals

artículo científico publicado en 2010

Triperyleno[3,3,3]propellane triimides: achieving a new generation of quasi-D 3h symmetric nanostructures in organic electronics.

artículo científico publicado en 2019

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

artículo científico publicado en 2012

Tuning the electronic and photophysical properties of heteroleptic iridium(III) phosphorescent emitters through ancillary ligand substitution: a theoretical perspective

artículo científico publicado en 2013

Understanding the Relationships Among Molecular Structure, Excited-State Properties, and Polarizabilities of π-Conjugated Chromophores

Unusual Electronic Structure of the Donor-Acceptor Cocrystal Formed by Dithieno[3,2-a:2',3'-c]phenazine and 7,7,8,8-Tetracyanoquinodimethane.

artículo científico publicado en 2017

Use of X-Ray Diffraction, Molecular Simulations, and Spectroscopy to Determine the Molecular Packing in a Polymer-Fullerene Bimolecular Crystal

Work function reduction by a redox-active organometallic sandwich complex

n-Dopants Based on Dimers of Benzimidazoline Radicals: Structures and Mechanism of Redox Reactions

artículo científico publicado en 2015

n-Doping of organic electronic materials using air-stable organometallics: a mechanistic study of reduction by dimeric sandwich compounds.

artículo científico publicado en 2012

Lista de obras de Chad Risko

25th anniversary article: Design of polymethine dyes for all-optical switching applications: guidance from theoretical and computational studies

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

Algorithm 1025: PARyOpt: A Software for <u>P</u> arallel <u>A</u> synchronous <u>R</u> emote Ba <u>y</u> esian <u>Opt</u> imization

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

An unsymmetrical non-fullerene acceptor: synthesis via direct heteroarylation, self-assembly, and utility as a low energy absorber in organic photovoltaic cells.

Benzo[1,2-b:6,5-b′]dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport

Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence

Bond Ellipticity Alternation: An Accurate Descriptor of the Nonlinear Optical Properties of π-Conjugated Chromophores.

Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]

Characterizing the Polymer:Fullerene Intermolecular Interactions

Charge delocalization through benzene, naphthalene, and anthracene bridges in π-conjugated oligomers: an experimental and quantum chemical study

Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core

Controlled conjugated backbone twisting for an increased open-circuit voltage while having a high short-circuit current in poly(hexylthiophene) derivatives

Deconstructing the behavior of donor-acceptor copolymers in solution & the melt: the case of PTB7

Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach

Dimers of Nineteen-Electron Sandwich Compounds: Crystal and Electronic Structures, and Comparison of Reducing Strengths

Distinguishing the Effects of Bond-Length Alternation versus Bond-Order Alternation on the Nonlinear Optical Properties of π-Conjugated Chromophores.

Dynamics, Miscibility, and Morphology in Polymer:Molecule Blends: The Impact of Chemical Functionality

Effect of Bulky Substituents on Thiopyrylium Polymethine Aggregation in the Solid State: A Theoretical Evaluation of the Implications for All-Optical Switching Applications

Effect of Solvent Additives on the Solution Aggregation of Phenyl-C61–Butyl Acid Methyl Ester (PCBM)

Electron affinities of 1,1-diaryl-2,3,4,5-tetraphenylsiloles: direct measurements and comparison with experimental and theoretical estimates

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

Engineering ligand reactivity enables high-temperature operation of stable perovskite solar cells

Entanglements in P3HT and their influence on thin-film mechanical properties: Insights from molecular dynamics simulations

Even–Odd Alkyl Chain-Length Alternation Regulates Oligothiophene Crystal Structure

Exploiting Excited-State Aromaticity To Design Highly Stable Singlet Fission Materials

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

Festschrift in Honor of Prof. Jean-Luc Brédas on His 65th Birthday

Fluorenyl-substituted silole molecules: geometric, electronic, optical, and device properties

Fullerene-carbene Lewis acid-base adducts.

Geometric and chelation influences on the electronic structure and optical properties of tetra(carboxylic acid)phenyleneethynylene dyes.

High charge-carrier mobility in an amorphous hexaazatrinaphthylene derivative.

Impact of Bulk Aggregation on the Electronic Structure of Streptocyanines: Implications for the Solid-State Nonlinear Optical Properties and All-Optical Switching Applications

Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors

Impact of molecular packing on electronic polarization in organic crystals: the case of pentacene vs TIPS-pentacene.

Impact of the Nature of the Excited-State Transition Dipole Moments on the Third-Order Nonlinear Optical Response of Polymethine Dyes for All-Optical Switching Applications

Influence of Molecular Shape on Solid-State Packing in Disordered PC61BM and PC71BM Fullerenes

Intermixing at the pentacene-fullerene bilayer interface: a molecular dynamics study

Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor–acceptor conjugated polymers

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

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

Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends

Mono- and dicarbonyl-bridged tricyclic heterocyclic acceptors: synthesis and electronic properties

Near-Infrared-Absorbing Indolizine-Porphyrin Push-Pull Dye for Dye-Sensitized Solar Cells

Noncovalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals

Noncovalent Interactions in Organic Electronic Materials

Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes

Nonlinear Optical Properties of X(C6H5)4 (X = B–, C, N+, P+): A New Class of Molecules with a Negative Third-Order Polarizability

Organic semiconductors: Healing contact.

Oxidation Pathways Involving a Sulfide-Endcapped Donor-Acceptor-Donor π-Conjugated Molecule and Antimony(V) Chloride

Packing and Disorder in Substituted Fullerenes

Polarization Energies at Organic-Organic Interfaces: Impact on the Charge Separation Barrier at Donor-Acceptor Interfaces in Organic Solar Cells

Polymethine materials with solid-state third-order optical susceptibilities suitable for all-optical signal-processing applications

Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs

Rational Functionalization of a C70 Buckybowl To Enable a C70:Buckybowl Cocrystal for Organic Semiconductor Applications

Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties

Rubrene: The Interplay between Intramolecular and Intermolecular Interactions Determines the Planarization of Its Tetracene Core in the Solid State.

Small optical gap molecules and polymers: using theory to design more efficient materials for organic photovoltaics.

Steric Manipulation as a Mechanism for Tuning the Reduction and Oxidation Potentials of Phenothiazines

Strain effects on the work function of an organic semiconductor

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

Substrate-induced variations of molecular packing, dynamics, and intermolecular electronic couplings in pentacene monolayers on the amorphous silica dielectric

Synthesis, Ionisation Potentials and Electron Affinities of Hexaazatrinaphthylene Derivatives

Synthetic principles directing charge transport in low-band-gap dithienosilole-benzothiadiazole copolymers

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

Three-dimensional packing structure and electronic properties of biaxially oriented poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) films

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

Transition from tunneling to hopping transport in long, conjugated oligo-imine wires connected to metals

Triperyleno[3,3,3]propellane triimides: achieving a new generation of quasi-D 3h symmetric nanostructures in organic electronics.

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

Tuning the electronic and photophysical properties of heteroleptic iridium(III) phosphorescent emitters through ancillary ligand substitution: a theoretical perspective

Understanding the Relationships Among Molecular Structure, Excited-State Properties, and Polarizabilities of π-Conjugated Chromophores

Unusual Electronic Structure of the Donor-Acceptor Cocrystal Formed by Dithieno[3,2-a:2',3'-c]phenazine and 7,7,8,8-Tetracyanoquinodimethane.

Use of X-Ray Diffraction, Molecular Simulations, and Spectroscopy to Determine the Molecular Packing in a Polymer-Fullerene Bimolecular Crystal

Work function reduction by a redox-active organometallic sandwich complex

n-Dopants Based on Dimers of Benzimidazoline Radicals: Structures and Mechanism of Redox Reactions

n-Doping of organic electronic materials using air-stable organometallics: a mechanistic study of reduction by dimeric sandwich compounds.