2023
- 81. Rui Lin*, Haowei Chen, Tingting Cui, Zedong Zhang, Qixin Zhou, Lin Nan, Weng-Chon Cheong, Lena Schröck, Vanessa Ramm, Qingrong Ding, Xiao Liang, Seryio Saris, Fedja J. Wendisch, Stefan A. Maier, Roland A. Fischer, Yongfa Zhu, Dong Wang*, and Emiliano Cortes*. Optimization of p-Type Cu2O Nanocube Photocatalysts Based on Electronic Effects. ACS Catal. 13 (2023), 11352-11361.
-
80.
Dong Wang*, Hongde Yu, Wen Shi, and Chunlin Xu.
Chemical Doping of Organic and Coordination Polymers for Thermoelectric and Spintronic Applications: A Theoretical Understanding.
Acc. Chem. Res.
56 (2023),
2127-2138.
新闻报导
-
79.
Chunlin Xu and Dong Wang*.
Electron transfer driving force as the criterion for efficient n-doping of organic semiconductors with DMBI-H derivatives.
J. Mater. Chem. A
11 (2023),
15416-15425.
- 78. Xuan Zeng, Lu Wang, Hengyi Dai, Tianyu Huang, Mingxu Du, Dong Wang,Dongdong Zhang,* and Lian Duan*. Orbital Symmetry Engineering in Fused Polycyclic Heteroaromatics toward Extremely Narrowband Green Emissions with an FWHM of 13 nm. Adv. Mater. (2023) 202211316
- 77. Runhan Xiao, Shuang Wang, Yan Chen, Tianhao Tan, Yanping Sui, Ziqiang Kong, Haomin Wang, Sunwen Zhao, Zhiying Chen, Yanhui Zhang*, Dong Wang*, Jianlu Wang*, and Guanghui Yu*. Effect of Solution pH on the Synthesis of Two-Dimensional Molybdenum–Tungsten Sulfide Nanostructures. ACS Appl. Nano Mater. 6 (2023), 5963−5971
-
76.
Tianhao Tan and Dong Wang*.
Machine learning based charge mobility prediction for organic semiconductors.
J. Chem. Phys.
158 (2023),
094102
新闻报导
-
75.
Qin Yu and Dong Wang*.
Room-temperature magnetism in two-dimensional metal–organic frameworks enabled by electrostatic gating.
J. Mater. Chem. A
11 (2023),
5548-5558
新闻报导
2022
- 74. Shuang Wang, Yan Chen, Tianhao Tan, Yanping Sui, Chuang Tian, Ziqiang Kong, Haomin Wang, Sunwen Zhao, Runhan Xiao, Zhiying Chen, Yanhui Zhang*, Dong Wang*, Jianlu Wang*, and Guanghui Yu*. One-Step Synthesis of a Bilayer MoS2/WS2 Lateral Heterojunction for Photoelectric Detection. ACS Appl. Nano Mater. 5 (2022), 17203–17211
-
73.
Hongde Yu and Dong Wang*.
Suppressing the Excitonic Effect in Covalent Organic Frameworks for Metal-Free Hydrogen Generation.
JACS Au
2 (2022),
1848-1856.
新闻报导
- 72. Xiaoxia Chen, Shuaishuai Yan, Tianhao Tan, Pan Zhou, Junxian Hou, Xuning Feng, Hao Dong, Peican Wang, Dong Wang, Baoguo Wang, Minggao Ouyang, Kai Liu*. Supramolecular “flame-retardant” electrolyte enables safe and stable cycling of lithium-ion batteries. Energy Stor. Mater. 45 (2022), 182-190.
2021
- 71. Qingda Liu#, Hongde Yu#, Qinghua Zhang, Dong Wang* and Xun Wang*. Temperature-Responsive Self-Assembly of Single Polyoxometalates Clusters Driven by Hydrogen Bonds. Adv. Funct. Mater. 31 (2021), 2103561.
- 70. Ran Liu, Yufei Ge, Dong Wang and Zhigang Shuai*. Understanding the Temperature Dependence of the Seebeck Coefficient from First-Principles Band Structure Calculations for Organic Thermoelectric Materials. CCS Chem. 3 (2021), 1477–1483.
-
69.
Sheng Huang, Zhigang Shuai, Dong Wang*.
Ferroelectricity in 2D metal phosphorus trichalcogenides and van der Waals heterostructures for photocatalytic water splitting.
J. Mater. Chem. A
9 (2021),
2734-2741.
2020
-
68.
Jiajing Feng, Yanan Wu, Qin Yu, Yunpeng Liu, Wei Jiang*, Dong Wang*, Zhaohui Wang*.
Fuller-Rylenes: Cross-Dimensional Molecular Carbons.
CCS Chem.
2 (2020),
271-279.
-
67.
Hongde Yu, Dong Wang*.
Metal-free magnetism in chemically doped covalent organic frameworks.
J. Am. Chem. Soc.
142 (2020),
11013–11021.
-
66.
Yongsan Li, Tianhao Tan, Yuan Zhao, Yen Wei, Dong Wang*, Rongjun Chen*, and Lei Tao*.
Anticancer Polymers via the Biginelli Reaction.
ACS Macro Lett.
9 (2020),
1249–1254.
2019
- 65. Tian Zhang, Wen Shi, Dong Wang, Shuping Zhuo, Qian Peng* and Zhigang Shuai*. Pressure-induced emission enhancement in hexaphenylsilole: a computational study, J. Mater. Chem. C 7 (2019), 1388 - 1398.
- 64. Wen Shi, Dong Wang*, Zhigang Shuai*. High‐Performance Organic Thermoelectric Materials: Theoretical Insights and Computational Design. Adv. Electron. Mater. 5 (2019), 1800882.
- 63. Dake Hu, Tianqi Zhao, Xiaofan Ping, Husong Zheng, Lei Xing, Xiaozhi Liu, Jingying Zheng, Dr. Lifei Sun, Lin Gu, Chenggang Tao, Dong Wang*, Liying Jiao*. Unveiling the Layer‐Dependent Catalytic Activity of PtSe2 Atomic Crystals for the Hydrogen Evolution Reaction. Angew. Chem. Int. Ed. 58 (2019), 6977-6981.
-
62.
Deren Yang, Hongde Yu, Ting He, Shouwei Zuo, Xiaozhi Liu, Haozhou Yang, Bing Ni, Haoyi Li, Lin Gu, Dong Wang, Xun Wang*.
Visible-light-switched electron transfer over single porphyrin-metal atom center for highly selective electroreduction of carbon dioxide.
Nat. Commun.
10 (2019),
3844.
-
61.
Yajing Sun, Zhigang Shuai, Dong Wang*，
Reducing Lattice Thermal Conductivity of the Thermoelectric SnSe Monolayer: Role of Phonon–Electron Coupling.
J. Phys. Chem. C
123 (2019),
12001-12006.
-
60.
Yunpeng Liu,Wen Shi, Tianqi Zhao, Dong Wang*, Zhigang Shuai*，
Boosting the Seebeck Coefficient for Organic Coordination Polymers: Role of Doping-Induced Polaron Band Formation.
J. Phys. Chem. Lett.
10 (2019),
2493-2499.
- 59. Qingda Liu, Peilei He, Hongde Yu, Lin Gu, Bing Ni, Dong Wang*, Xun Wang*. Single molecule–mediated assembly of polyoxometalate single-cluster rings and their three-dimensional superstructures. Sci. Adv. 5 (2019), eaax1081.
-
58.
Meng Shao, Qin Yu, Nan Jing, Yu Cheng, Dong Wang *, Yun-Dong Wang and Jian-Hong Xu *.
Continuous synthesis of carbon dots with full spectrum fluorescence and the mechanism of their multiple color emission.
Lab Chip
19 (2019),
3974-3978.
-
57.
Hongde Yu, Jinghui Wang, Liying Jiao, Dong Wang*.
cis-C═C Bond and Amide Regulated Oriented Supramolecular Assembly on Two-Dimensional Atomic Crystals.
J. Phys. Chem. C
123 (2019),
30996-31002
- 56. Huili Ma, Hongde Yu, Qian Peng*, Zhongfu An, Dong Wang, and Zhigang Shuai*. Hydrogen Bonding-Induced Morphology Dependence of Long-Lived Organic Room-Temperature Phosphorescence: A Computational Study. J. Phys. Chem. Lett. 10 (2019), 6948−6954.
2018
- 55. Lifei Sun, Xingxu Yan, Jingying Zheng, Hongde Yu, Zhixing Lu, Shang-peng Gao, Lina Liu, Xiaoqing Pan, Dong Wang, Zhiguo Wang*, Peng Wang*, and Liying Jiao* Layer-dependent chemically induced phase transistor of two-dimensional MoS2. Nano Lett. 18 (2018), 3435-3440.
- 54. Yingli Niu, Wenqiang Li, Qian Peng*, Hua Geng, Yuanping Yi, Linjun Wang, Guangjun Nan, Dong Wang and Zhigang Shuai*. MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a Software Package for Predicting the Luminescent Properties and Mobility of Organic Functional Materials. Mol. Phys. 116 (2018), 1078-1090.
- 53. Jinyang Xi, Yuma Nakamura, Tianqi Zhao, Dong Wang, Zhigang Shuai*. Theoretical Studies on the Deformation Potential, Electron-Phonon Coupling, and Carrier Transports of Layered Systems. Acta Phys. -Chim. Sin. 34 (2018), 961-976.
-
52.
Yajing Sun, Zhigang Shuai, Dong Wang*.
Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics.
Phys. Chem. Chem. Phys.
20 (2018),
14024-14030.
-
51.
Yajing Sun, Zhigang Shuai and Dong Wang*，
Janus monolayer of WSeTe, a new structural phase transition material driven by electrostatic gating.
Nanoscale
10 (2018),
21629.
-
50.
Jiangwei Li, Qin Yu (co-first Author), Yihui He, Constantinos C. Stoumpos, Guangda Niu, Giancarlo G. Trimarchi, Hang Guo, Guifang Dong, Dong Wang*, Liduo Wang, and Mercouri G. Kanatzidis*，
Cs2PbI2Cl2, All-Inorganic Two-Dimensional Ruddlesden–Popper Mixed Halide Perovskite with Optoelectronic Response.
J. Am. Chem. Soc.
140 (2018),
11085-11090.
2017
- 49. Jun Wang, Wen Shi, Di Liu, Zijian Zhang, Yongfa Zhu*, Dong Wang*. Supramolecular organic nanofibers with highly efficient and stable visible light photooxidation performance. Appl. Catal. B 202 (2017), 289-297.
- 48. Qian Peng, Di Fan, Ruihong Duan, Yuanping Yi*, Yingli Niu, Dong Wang, and Zhigang Shuai*. Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule. J. Phys. Chem C 121 (2017), 13448-13456.
-
47.
Jinghui Wang, Hongde Yu (co-first author), Xu Zhou, Xiaozhi Liu, Renjie Zhang, Zhixing Lu, Jingying Zheng, Lin Gu, Kaihui Liu, Dong Wang* and Liying Jiao*.
Probing the crystallographic orientation of two-dimensional atomic crystals with supramolecular self-assembly.
Nat. Commun.
8 (2017),
377.
- 46. Jianfeng Chen, Wen Shi, Yuqian Jiang, Dong Wang*, Zhigang Shuai*. Strain Induced Polymorphism and Band Structure Modulation in Low-temperature 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene Single Crystal. Sci. China Chem. 60 (2017), 275-283.
- 45. Yuma Nakamura, Tianqi Zhao, Jinyang Xi, Wen Shi, Dong Wang*, Zhigang Shuai*. Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron–Phonon Couplings. Adv. Electron. Mater. 3 (2017), 1700143.
-
44.
Tianqi Zhao, Dong Wang*, Zhigang Shuai*.
Doping Optimization of Organic-inorganic Hybrid Perovskite CH3NH3PbI3 for High Thermoelectric Efficiency.
Synth. Met.
225 (2017),
108-114.
- 43. Wen Shi, Zhigang Shuai and Dong Wang*. Tuning Thermal Transport in Chain-Oriented Conducting Polymers for Enhanced Thermoelectric Efficiency: A Computational Study. Adv. Funct. Mater. 27 (2017), 1702847.
- 42. Y Kang, X Tang, H Yu, Z Cai, Z Huang, D Wang, J Xu* and X Zhang*. Supramolecular catalyst functions in catalytic amount: cucurbit[8]uril accelerates the photodimerization of Brooker’s merocyanine. Chem. Sci. 8 (2017), 8357-8361.
-
41.
Tianqi Zhao, Yajing Sun, Zhigang Shuai, and Dong Wang*.
GeAs2: A IV–V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency.
Chem. Mater.
29 (2017),
6261-6268.
-
40.
Yajing Sun, Dong Wang* and Zhigang Shuai.
Puckered Arsenene: A Promising Room-Temperature Thermoelectric Material from First-Principles Prediction.
J. Phys. Chem. C
121 (2017),
19080-19086.
2016
- 39. Guangda Niu, Hongde Yu, Jiangwei Li, Dong Wang and Liduo Wang*. Controlled orientation of perovskite films through mixed cations toward high performance perovskite solar cells. Nano Energy 27 (2016), 87-94.
- 38. Tianqi Zhao, Wen Shi, Jinyang Xi, Dong Wang*, and Zhigang Shuai*. Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Predicted from First-Principles. Sci. Rep. 7 (2016), 19968.
-
37.
Gang Zhou and Dong Wang*.
High thermoelectric performance from optimization of hole-doped CuInTe2.
Phys. Chem. Chem. Phys.
18 (2016),
5925-5931 (Inside back cover).
-
36.
Zhiying Ma, Hua Geng*, Dong Wang*, and Zhigang Shuai.
Influence of alkyl side-chain length on the carrier mobility in organic semiconductors: herringbone vs. pi-pi stacking.
J. Mater. Chem. C
4 (2016),
4546-4555.
-
35.
Yajing Sun, Dong Wang*, and Zhigang Shuai*.
Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides: A Theoretical Prediction.
J. Phys. Chem. C
120 (2016),
21866-21870.
2015
- 34. Jun Xu, Hongde Yu, Liulin Yang, Guanglu Wu, Zhiqiang Wang, Dong Wang and Xi Zhang*. Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell tunable method. Chem. Sci. 6 (2015), 4907-4911.
- 33. Tian Zhang, Huili Ma, Yingli Niu, Wenqiang Li, Dong Wang, Qian Peng*, Zhigang Shuai* and Wanzhen Liang. Spectroscopic Signature of the Aggregation-Induced Emission Phenomena Caused by Restricted Nonradiative Decay: A Theoretical Proposal. J. Phys. Chem. C 119 (2015), 5040-5047.
- 32. Jinyang Xi, Dong Wang and Z Shuai*. Electronic properties and charge carrier mobilities of graphynes and graphdiynes from first principles, Wiley Interdisciplinary Reviews. Comput. Mol. Sci. 5 (2015), 215-227.
-
31.
Gang Zhou and Dong Wang*.
Few-quintuple Bi2Te3 nanofilms as potential thermoelectric materials.
Sci. Rep.
5 (2015),
8099.
-
30.
Wen Shi, Tianqi Zhao, Jinyang Xi, Dong Wang*, and Zhigang Shuai*.
Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties.
J. Am. Chem. Soc.
137 (2015),
12929-12938.
2014
- 29. Tian Zhang, Yuqian Jiang, Yingli Niu, Dong Wang, Qian Peng*, and Zhigang Shuai*. Aggregation Effects on the Optical Emission of 1,1,2,3,4,5-Hexaphenylsilole (HPS): A QM/MM Study, J. Phys. Chem. A 118 (2014), 9094-9104.
- 28. Jinyang Xi, Dong Wang, Yuanping Yi, Zhigang Shuai*. Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach. J. Chem. Phys. 141 (2014), 034704.
- 27. Xing Gao, Hua Geng, Qian Peng, Jiajun Ren, Yuanping Yi, Dong Wang, and Zhigang Shuai*. Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers. J. Phys. Chem. C 118 (2014), 6631-6640.
- 26. Qunyan Wu#, Tian Zhang#, Qian Peng*, Dong Wang, and Zhigang Shuai*. Aggregation Induced Blue-Shifted Emission – the Molecular Picture from a QM/MM Study. Phys. Chem. Chem. Phys. 16 (2014), 5545-5552.
-
25.
Jinyang Xi, Tianqi Zhao, Dong Wang*, and Zhigang Shuai*.
Tunable Electronic Properties of Two-Dimensionalb Transition Metal Dichalcogenide Alloys: A First-Principles Prediction.
J. Phys. Chem. Lett.
5 (2014),
285-291.
-
24.
Wen Shi, Jianming Chen, Jinyang Xi, Dong Wang* and Zhigang Shuai*.
Search for Organic Thermoelectric Materials with High Mobility: The Case of 2,7-Dialkyl[1]benzothieno[3,2-b][1]benzothiophene Derivatives.
Chem. Mater.
26 (2014),
2669-2677.
-
23.
Zhigang Shuai*, Dong Wang, Qian Peng, and Hua Geng.
Computational Evaluation of Optoelectronic Properties for Organic/Carbon Materials.
Acc. Chem. Res.
47 (2014),
3301-3309.
- 22. Xiaoyan Zheng, Hua Geng, Yuanping Yi, Qikai Li, Yuqian Jiang, Dong Wang*, Zhigang Shuai*. Understanding Lattice Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study. Adv. Funct. Mater. 24 (2014), 5531-5540 (Frontispiece).
2013
- 21. Kai Liu#, Xiaoyan Zheng#, Ashok Z. Samuel, S. G. Ramkumar, Suhrit Ghosh, Xinxin Tan, Dong Wang, Zhigang Shuai, S. Ramakrishnan, Dongsheng Liu, Xi Zhang Stretching Single Polymer Chains of Donor–Acceptor Foldamers: Toward the Quantitative Study on the Extent of Folding. Langmuir 29 (2013), 14438-14443.
- 20. Xiaoyan Zheng, Dong Wang* and Zhigang Shuai*. Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly. Nanoscale 5 (2013), 3681-3689.
- 19. Jianming Chen, Jinyang Xi, Dong Wang* and Zhigang Shuai*. Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction. J. Phys. Chem. Lett. 4 (2013), 1443-1448.
- 18. Xiaoyan Zheng, Zhigang Shuai* and Dong Wang*. Anion-Binding Properties of Π-Electron Deficient Cavities in Bis(tetraoxacalix[2]arene[2]triazine): A Theoretical Study. J. Phys. Chem. A 117 (2013), 3844-3851.
- 17. Jing Zhang, Zhiying Ma, Qian Zhang, Virk Tarunpreet Singh, Hua Geng, Dong Wang, Wei Xu*, Zhigang Shuai*, Singh Kamaljit*, Wenping Hu, Daoben Zhu*. Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations. J. Mater. Chem. C 1 (2013), 5765-5771.
- 16. Yanfeng Chen, Jinyang Xi, Dumitru O Dumcenco, Zheng Liu, Kazu Suenaga, Dong Wang, Zhigang Shuai, Ying-Sheng Huang, Liming Xie Tunable Band Gap Photoluminescence from Atomically Thin Transition-Metal Dichalcogenide Alloys. ACS Nano 7 (2013), 4610-4616.
2012
- 15. Xiaoyan Zheng, Dong Wang*, Zhigang Shuai, Xi Zhang. Molecular dynamics simulations of the supramolecular assembly between an azobenzene-containing surfactant and α-cyclodextrin: role of photoisomerization. J. Phys. Chem. B 116 (2012), 823-832.
-
14.
Dong Wang, Wen Shi, Jianming Chen, Jinyang Xi, Zhigang Shuai*.
Modeling thermoelectric transport in organic materials.
Phys. Chem. Chem. Phys.
14 (2012),
16505-16520 (Cover).
- 13. Xing Gao, Qian Peng, Yingli Niu, Dong Wang*, Zhigang Shuai*. Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study. Phys. Chem. Chem. Phys. 14 (2012), 14207-14216.
- 12. Jianming Chen, Dong Wang*, Zhigang Shuai*. First-Principles Predictions of Thermoelectric Figure of Merit for Organic Materials: Deformation Potential Approximation. J. Chem. Theory Comput. 8 (2012), 3338-3347.
- 11. Jinyang Xi, Mengqiu Long, Ling Tang, Dong Wang, Zhigang Shuai*. First-Principles Prediction of Charge Mobility in Carbon and Organic Nanomaterials. Nanoscale 4 (2012), 61.4348-4369.
2011
- 10. Qinwen Chen, Lingyi Meng, Qikai Li, Dong Wang, Wei Guo, Zhigang Shuai*, Lei Jiang*. Water Transport and Purification in Nanochannels Controlled by Asymmetric Wettability. Small 7 (2011), 62.2225-2231.
- 9. Yuan Shang, Qikai Li, Lingyi Meng, Dong Wang, Zhigang Shuai*. Computational characterization of organic photovoltaic devices. Theor. Chem. Acc. 129 (2011), 291-301.
- 8. Lingyi Meng, Dong Wang, Qikai Li, Yuanping Yi, Jean-Luc Brédas, Zhigang Shuai*. An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices. J. Chem. Phys. 134 (2011), 64.124102.
- 7. Mengqiu Long, Ling Tang, Dong Wang, Yuliang Li, Zhigang Shuai*. Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions. ACS Nano 5 (2011), 2593-2600.
-
6.
Dong Wang, Ling Tang, Mengqiu Long, Zhigang Shuai.
Anisotropic thermal transport in organic molecular crystals from nonequilibrium molecular dynamics simulations.
J. Phys. Chem. C
15 (2011),
5940-5946.
2010
- 5. Yuan Shang, Qikai Li, Lingyi Meng, Dong Wang, Zhigang Shuai*. Device simulation of low-band gap polymer solar cells: Influence of electron-hole pair dissociation and decay rates on open-circuit voltage. Appl. Phys. Lett. 97 (2010), 67.143511-13.
- 4. Dong Wang, Liping Chen, Renhui Zheng, Linjun Wang, Qiang Shi. A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals. J. Chem. Phys. 132 (2010), 081101.
2009
- 3. Mengqiu Long, Ling Tang, Dong Wang, Linjun Wang, Zhigang Shuai*. Theoretical Predictions of Size-dependent carrier mobility and polarity in graphene. J. Am. Chem. Soc. 131 (2009), 17728-17729.
- 2. Ling Tang, Mengqiu Long, Dong Wang, Zhigang Shuai*. The role of acoustic phonon scattering in charge transport in organic semiconductors: a first-principles deformation-potential study. Sci. China Ser. B-Chem. 52 (2009), 1646-1652.
- 1. Dong Wang, Ling Tang, Mengqiu Long, Zhigang Shuai. First-principles investigation of organic semiconductors for thermoelectric applications. J. Chem. Phys. 131 (2009), 224704.
