Dong Wang

发表

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

Mengqiu Long, Jinyang Xi, L. Tang, 2012, Nanoscale.

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

Zhigang Shuai, Dong Wang, Mengqiu Long, 2011, ACS nano.

Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly.

Dong Wang, Z. Shuai, Xiaoyan Zheng, 2013, Nanoscale.

Kinetics-Controlled Amphiphile Self-Assembly Processes.

Xuhui Huang, Luming Meng, Lizhe Zhu, 2017, The journal of physical chemistry letters.

High‐Performance Organic Thermoelectric Materials: Theoretical Insights and Computational Design

Dong Wang, Z. Shuai, Wen Shi, 2019, Advanced Electronic Materials.

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

Wen Shi, Zhigang Shuai, Dong Wang, 2014 .

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

Zhigang Shuai, Dong Wang, Dong Wang, 2012, Journal of chemical theory and computation.

Modeling thermoelectric transport in organic materials.

Zhigang Shuai, Dong Wang, Jinyang Xi, 2012, Physical chemistry chemical physics : PCCP.

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

Dong Wang, Zhigang Shuai, Jinyang Xi, 2013, ACS nano.

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

Zhigang Shuai, Dong Wang, Jinyang Xi, 2014, The journal of physical chemistry letters.

High thermoelectric performance from optimization of hole-doped CuInTe2.

Dong Wang, Gang Zhou, 2016, Physical chemistry chemical physics : PCCP.

Reducing Lattice Thermal Conductivity of the Thermoelectric SnSe Monolayer: Role of Phonon–Electron Coupling

Dong Wang, Z. Shuai, Yajing Sun, 2019, The Journal of Physical Chemistry C.

Suppression of the Charge Density Wave State in Two-Dimensional 1T-TiSe2 by Atmospheric Oxidation.

Qinghua Zhang, L. Gu, Dong Wang, 2017, Angewandte Chemie.

Probing the crystallographic orientation of two-dimensional atomic crystals with supramolecular self-assembly

L. Gu, Dong Wang, Liying Jiao, 2017, Nature Communications.

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

Y. Niu, Dong Wang, Z. Shuai, 2014, The journal of physical chemistry. A.

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

L. Gu, Deren Yang, Dong Wang, 2019, Nature Communications.

Temperature‐Responsive Self‐Assembly of Single Polyoxometalates Clusters Driven by Hydrogen Bonds

Qinghua Zhang, Dong Wang, Xun Wang, 2021, Advanced Functional Materials.

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

L. Gu, Dong Wang, Bing Ni, 2019, Science Advances.

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

Dong Wang, Z. Shuai, Yajing Sun, 2017 .

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

Dong Wang, Z. Shuai, Yunpeng Liu, 2019, The journal of physical chemistry letters.

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

Y. Niu, Dong Wang, Z. Shuai, 2012, Physical chemistry chemical physics : PCCP.

Molecular dynamics simulations of the supramolecular assembly between an azobenzene-containing surfactant and α-cyclodextrin: role of photoisomerization.

Dong Wang, Z. Shuai, Xiaoyan Zheng, 2012, The journal of physical chemistry. B.

Supramolecular catalyst functions in catalytic amount: cucurbit[8]uril accelerates the photodimerization of Brooker’s merocyanine† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04125j

Xi Zhang, Dong Wang, Yuetong Kang, 2017, Chemical science.

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

Dong Wang, Z. Shuai, Xiaoyan Zheng, 2013, The journal of physical chemistry. A.

Hydrogen Bonding Induced Morphology Dependence of Long-lived Organic Room-Temperature Phosphorescence: A Computational Study.

Dong Wang, Z. Shuai, Zhongfu An, 2019, The journal of physical chemistry letters.

Metal-free magnetism in chemically doped covalent organic frameworks.

Dong Wang, Hongde Yu, 2020, Journal of the American Chemical Society.

Few-quintuple Bi2Te3 nanofilms as potential thermoelectric materials

Dong Wang, Gang Zhou, 2015, Scientific Reports.

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

Zhigang Shuai, Hua Geng, Dong Wang, 2016 .

Computational evaluation of optoelectronic properties for organic/carbon materials.

Dong Wang, Z. Shuai, Hua Geng, 2014, Accounts of chemical research.

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

Dong Wang, Z. Shuai, Qunyan Wu, 2014, Physical chemistry chemical physics : PCCP.

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

Jinyang Xi, Dong Wang, Z. Shuai, 2014, The Journal of chemical physics.

Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron–Phonon Couplings

Jinyang Xi, Dong Wang, Z. Shuai, 2017, 1705.01816.

Pressure-induced emission enhancement in hexaphenylsilole: a computational study

Dong Wang, Z. Shuai, Shuping Zhuo, 2019, Journal of Materials Chemistry C.

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

Zhigang Shuai, Ling Tang, Mengqiu Long, 2009, Journal of the American Chemical Society.

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

Dong Wang, Z. Shuai, Yuanping Yi, 2014 .

Suppressing the excitonic effect and reducing the overpotential in narrow band gap covalent organic frameworks of Lieb lattice to enable metal-free photocatalytic overall water splitting

Dong Wang, Hongde Yu, 2021 .

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

L. Tang, Mengqiu Long, Dong Wang, 2009 .

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

Wen Shi, Zhigang Shuai, Jinyang Xi, 2015, Journal of the American Chemical Society.

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

Guangda Niu, Liduo Wang, M. Kanatzidis, 2018, Journal of the American Chemical Society.

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

Dong Wang, Meng Shao, Jian-hong Xu, 2019, Lab on a chip.

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

Jinyang Xi, Dong Wang, Z. Shuai, 2013, The journal of physical chemistry letters.

Computational characterization of organic photovoltaic devices

Dong Wang, Z. Shuai, L. Meng, 2011 .

Ferroelectricity in 2D metal phosphorus trichalcogenides and van der Waals heterostructures for photocatalytic water splitting

Dong Wang, Z. Shuai, Sheng Huang, 2021 .

Theoretical Studies on the Deformation Potential, Electron-Phonon Coupling, and Carrier Transports of Layered Systems

Jinyang Xi, Dong Wang, Z. Shuai, 2018 .

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

Dong Wang, Z. Shuai, Tianqi Zhao, 2017 .

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

Zhigang Shuai, Dong Wang, Jinyang Xi, 2015 .

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

Daoben Zhu, Wei Xu, Dong Wang, 2013 .

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

Dong Wang, Z. Shuai, Yajing Sun, 2016 .

First-principles investigation of organic semiconductors for thermoelectric applications.

Mengqiu Long, L. Tang, Dong Wang, 2009, The Journal of chemical physics.

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

Mengqiu Long, L. Tang, Dong Wang, 2011 .

Tuning Thermal Transport in Chain‐Oriented Conducting Polymers for Enhanced Thermoelectric Efficiency: A Computational Study

Dong Wang, Z. Shuai, Wen Shi, 2017 .

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

Lingyi Meng, Zhigang Shuai, Jean-Luc Brédas, 2011, The Journal of chemical physics.

Device simulation of low-band gap polymer solar cells: Influence of electron-hole pair dissociation and decay rates on open-circuit voltage

Dong Wang, Z. Shuai, L. Meng, 2010 .

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

Dong Wang, Z. Shuai, Yajing Sun, 2018, Nanoscale.

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

Peng Wang, Liying Jiao, Dong Wang, 2018, Nano letters.

MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials

Dong Wang, Zhigang Shuai, Yingli Niu, 2018 .

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

Dong Wang, Z. Shuai, Wen Shi, 2017, Science China Chemistry.

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

Wen Shi, Zhigang Shuai, Dong Wang, 2016, Scientific Reports.

Doping optimization of organic-inorganic hybrid perovskite CH3NH3PbI3 for high thermoelectric efficiency

Dong Wang, Zhigang Shuai, Tianqi Zhao, 2017 .

Understanding the Temperature Dependence of the Seebeck Coefficient from First-Principles Band Structure Calculations for Organic Thermoelectric Materials

Ran Liu, Dong Wang, Z. Shuai, 2021, CCS Chemistry.

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

Dong Wang, Yingli Niu, Zhigang Shuai, 2017 .

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

Dong Wang, Z. Shuai, Yuanping Yi, 2014 .

Unveiling the Layer-Dependent Catalytic Activity of PtSe2 Atomic Crystals for the Hydrogen Evolution Reaction.

L. Gu, Dong Wang, Liying Jiao, 2019, Angewandte Chemie.

Chemical Doping of Organic and Coordination Polymers for Thermoelectric and Spintronic Applications: A Theoretical Understanding.

Dong Wang, Wen Shi, Hongde Yu, 2023, Accounts of chemical research.

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

Y. Niu, W. Liang, Dong Wang, 2015 .

Machine learning based charge mobility prediction for organic semiconductors.

Dong Wang, T. Tan, 2023, The Journal of chemical physics.

Unveiling the Layer‐Dependent Catalytic Activity of PtSe 2 Atomic Crystals for the Hydrogen Evolution Reaction

Dong Wang, Liying Jiao, C. Tao, 2019, Angewandte Chemie.

Controlled orientation of perovskite films through mixed cations toward high performance perovskite solar cells

Guangda Niu, Liduo Wang, Dong Wang, 2016 .

Orbital Symmetry Engineering in Fused Polycyclic Heteroaromatics toward Extremely Narrowband Green Emissions with an FWHM of 13 nm

Dong Wang, Dongdong Zhang, Tianyu Huang, 2023, Advanced materials.