Lista de obras - Dong Wang - Dominio Público Uruguay

Aggregation effects on the optical emission of 1,1,2,3,4,5-hexaphenylsilole (HPS): a QM/MM study.

artículo científico publicado en 2014

Aggregation induced blue-shifted emission--the molecular picture from a QM/MM study

artículo científico publicado en 2014

An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices

artículo científico publicado en 2011

Anion-binding properties of π-electron deficient cavities in bis(tetraoxacalix[2]arene[2]triazine): a theoretical study

artículo científico publicado en 2013

Anisotropic Thermal Transport in Organic Molecular Crystals from Nonequilibrium Molecular Dynamics Simulations

article

Boosting the Seebeck Coefficient for Organic Coordination Polymers: Role of Doping-Induced Polaron Band Formation

scientific article published on 02 May 2019

Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction

artículo científico publicado en 2013

Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly

artículo científico publicado en 2013

Communications: A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals

artículo científico publicado en 2010

Computational characterization of organic photovoltaic devices

article

Computational evaluation of optoelectronic properties for organic/carbon materials

artículo científico publicado en 2014

Continuous synthesis of carbon dots with full spectrum fluorescence and the mechanism of their multiple color emission

scientific article published on 29 October 2019

Cs2PbI2Cl2, All-Inorganic Two-Dimensional Ruddlesden–Popper Mixed Halide Perovskite with Optoelectronic Response

scientific article published on 22 August 2018

Doping optimization of organic-inorganic hybrid perovskite CH 3 NH 3 PbI 3 for high thermoelectric efficiency

Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach

artículo científico publicado en 2014

Electronic properties and charge carrier mobilities of graphynes and graphdiynes from first principles

article

Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions

artículo científico publicado en 2011

Few-quintuple Bi₂Te₃ nanofilms as potential thermoelectric materials

artículo científico publicado en 2015

First-Principles Predictions of Thermoelectric Figure of Merit for Organic Materials: Deformation Potential Approximation

artículo científico publicado en 2012

First-principles prediction of charge mobility in carbon and organic nanomaterials

article

Formation of naphthalene, indene, and benzene from cyclopentadiene pyrolysis: a DFT study.

artículo científico publicado en 2006

GeAs2: A IV–V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency

High thermoelectric performance from optimization of hole-doped CuInTe2.

artículo científico publicado en 2015

High-Resolution Infrared Spectrum of H3SiI in the nu1/nu4 Region near 2200 cm-1

scientific article published on 01 August 1998

Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides: A Theoretical Prediction

Influence of alkyl side-chain length on the carrier mobility in organic semiconductors: herringbone vs. pi–pi stacking

Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles

artículo científico publicado en 2016

Janus monolayer of WSeTe, a new structural phase transition material driven by electrostatic gating

artículo científico publicado en 2018

Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics

article

Layer-Dependent Chemically Induced Phase Transition of Two-Dimensional MoS2

artículo científico publicado en 2018

Modeling thermoelectric transport in organic materials

artículo científico

Molecular Dynamics Simulations of the Supramolecular Assembly between an Azobenzene-Containing Surfactant and α-Cyclodextrin: Role of Photoisomerization

artículo científico publicado en 2012

Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers

article

Protein structure and dynamics from single-molecule fluorescence resonance energy transfer.

artículo científico publicado en 2005

Puckered Arsenene: A Promising Room-Temperature Thermoelectric Material from First-Principles Prediction

Pyrolytic hydrocarbon growth from cyclopentadiene.

artículo científico publicado en 2010

Search for Organic Thermoelectric Materials with High Mobility: The Case of 2,7-Dialkyl[1]benzothieno[3,2-b][1]benzothiophene Derivatives

article

Single molecule–mediated assembly of polyoxometalate single-cluster rings and their three-dimensional superstructures

artículo científico publicado en 2019

Spectroscopic Signature of the Aggregation-Induced Emission Phenomena Caused by Restricted Nonradiative Decay: A Theoretical Proposal

artículo científico

Strain induced polymorphism and band structure modulation in low-temperature 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene single crystal

Stretching single polymer chains of donor-acceptor foldamers: toward the quantitative study on the extent of folding

artículo científico publicado en 2013

Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations

Supramolecular catalyst functions in catalytic amount: cucurbit[8]uril accelerates the photodimerization of Brooker's merocyanine.

artículo científico publicado en 2017

The role of acoustic phonon scattering in charge transport in organic semiconductors: a first-principles deformation-potential study

article published in 2009

Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule

Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study.

artículo científico publicado en 2012

Theoretical predictions of size-dependent carrier mobility and polarity in graphene

artículo científico publicado en 2009

Tunable Electronic Properties of Two-Dimensional Transition Metal Dichalcogenide Alloys: A First-Principles Prediction

artículo científico publicado en 2013

Tunable band gap photoluminescence from atomically thin transition-metal dichalcogenide alloys

artículo científico publicado en 2013

Understanding Lattice Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study

article

Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties

artículo científico publicado en 2015

Visible-light-switched electron transfer over single porphyrin-metal atom center for highly selective electroreduction of carbon dioxide

scientific article published on 26 August 2019

Water transport and purification in nanochannels controlled by asymmetric wettability

artículo científico publicado en 2011

Lista de obras de Dong Wang

Aggregation effects on the optical emission of 1,1,2,3,4,5-hexaphenylsilole (HPS): a QM/MM study.

Aggregation induced blue-shifted emission--the molecular picture from a QM/MM study

An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices

Anion-binding properties of π-electron deficient cavities in bis(tetraoxacalix[2]arene[2]triazine): a theoretical study

Anisotropic Thermal Transport in Organic Molecular Crystals from Nonequilibrium Molecular Dynamics Simulations

Boosting the Seebeck Coefficient for Organic Coordination Polymers: Role of Doping-Induced Polaron Band Formation

Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction

Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly

Communications: A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals

Computational characterization of organic photovoltaic devices

Computational evaluation of optoelectronic properties for organic/carbon materials

Continuous synthesis of carbon dots with full spectrum fluorescence and the mechanism of their multiple color emission

Cs2PbI2Cl2, All-Inorganic Two-Dimensional Ruddlesden–Popper Mixed Halide Perovskite with Optoelectronic Response

Doping optimization of organic-inorganic hybrid perovskite CH 3 NH 3 PbI 3 for high thermoelectric efficiency

Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach

Electronic properties and charge carrier mobilities of graphynes and graphdiynes from first principles

Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions

Few-quintuple Bi₂Te₃ nanofilms as potential thermoelectric materials

First-Principles Predictions of Thermoelectric Figure of Merit for Organic Materials: Deformation Potential Approximation

First-principles prediction of charge mobility in carbon and organic nanomaterials

Formation of naphthalene, indene, and benzene from cyclopentadiene pyrolysis: a DFT study.

GeAs2: A IV–V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency

High thermoelectric performance from optimization of hole-doped CuInTe2.

High-Resolution Infrared Spectrum of H3SiI in the nu1/nu4 Region near 2200 cm-1

Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides: A Theoretical Prediction

Influence of alkyl side-chain length on the carrier mobility in organic semiconductors: herringbone vs. pi–pi stacking

Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles

Janus monolayer of WSeTe, a new structural phase transition material driven by electrostatic gating

Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics

Layer-Dependent Chemically Induced Phase Transition of Two-Dimensional MoS2

Modeling thermoelectric transport in organic materials

Molecular Dynamics Simulations of the Supramolecular Assembly between an Azobenzene-Containing Surfactant and α-Cyclodextrin: Role of Photoisomerization

Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers

Protein structure and dynamics from single-molecule fluorescence resonance energy transfer.

Puckered Arsenene: A Promising Room-Temperature Thermoelectric Material from First-Principles Prediction

Pyrolytic hydrocarbon growth from cyclopentadiene.

Search for Organic Thermoelectric Materials with High Mobility: The Case of 2,7-Dialkyl[1]benzothieno[3,2-b][1]benzothiophene Derivatives

Single molecule–mediated assembly of polyoxometalate single-cluster rings and their three-dimensional superstructures

Spectroscopic Signature of the Aggregation-Induced Emission Phenomena Caused by Restricted Nonradiative Decay: A Theoretical Proposal

Strain induced polymorphism and band structure modulation in low-temperature 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene single crystal

Stretching single polymer chains of donor-acceptor foldamers: toward the quantitative study on the extent of folding

Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations

Supramolecular catalyst functions in catalytic amount: cucurbit[8]uril accelerates the photodimerization of Brooker's merocyanine.

The role of acoustic phonon scattering in charge transport in organic semiconductors: a first-principles deformation-potential study

Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule

Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study.

Theoretical predictions of size-dependent carrier mobility and polarity in graphene

Tunable Electronic Properties of Two-Dimensional Transition Metal Dichalcogenide Alloys: A First-Principles Prediction

Tunable band gap photoluminescence from atomically thin transition-metal dichalcogenide alloys

Understanding Lattice Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study

Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties

Visible-light-switched electron transfer over single porphyrin-metal atom center for highly selective electroreduction of carbon dioxide

Water transport and purification in nanochannels controlled by asymmetric wettability