AI-Chem LAB: Modeling of Charge Kinetics in Complex Systems

江俊博士 Dr. Jun Jiang

  • 物理化学教授 Professor of Physical Chemistry
  • 中国科学技术大学 University of Science and Technology of China (USTC)
  • 化学与材料科学学院 School of Chemistry and Materials Science
  • Email: jiangj1@ustc.edu.cn

特任副研与博士后招聘 Researcher Employment

机器化学家演示视频 Demo of USTC AI-Chemist (2021Dec)

Welcome to Jun Jiang’s Research Group website. We are a small research group focusing on theoretical and computation chemistry, at the School of Chemistry and Materials Science, Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China (USTC). Our study interests include

  1. Machine Learning Protocol and Multi-scale Modeling Method Development for Chemistry study (Quantum Chemistry, Molecular Mechanics, Solid State Physics)
  2. Photochemistry (Nonlinear Spectroscopy, Molecular Luminescence, bio-chemistry)
  3. Nano-electronics (Nano-materials, Nano-technology of medical diagnosis, Gene/DNA Sequencing)
  4. Electron dynamics at the surface and interface in photocatalytic systems (composition structures with semiconductor, metal, carbon nano-materials)

PUBLICATIONS: http://www.researcherid.com/rid/P-5378-2014

最新研究 New Progress

简介 Biography

江俊博士 Dr. Jun Jiang

  • 物理化学教授 Professor of Physical Chemistry
  • 中国科学技术大学 University of Science and Technology of China (USTC)
  • 化学与材料科学学院 School of Chemistry and Materials Science
  • Email: jiangj1@ustc.edu.cn
  • Phone: +86 (0)551 6360 0029

江俊博士1978年出生于中国湖南省，现为中国科学技术大学化学与材料科学学院教授（2011/12--），博士生导师。2000年获武汉大学物理系人才基地班理论物理学士学位，2007年获瑞典皇家工学院理论化学博士学位（导师罗毅教授），2008年获中国科学院上海技术物理研究所微电子与固体电子学博士学位（导师陆卫教授）。此后在瑞典皇家工学院（合作导师罗毅教授）与美国加州大学尔湾分校（合作导师Shaul Mukamel院士）从事博士后研究并于2010-2011年任助理研究员。担任两届中科大少年班学院班主任，指导学生获多项国际大奖。2011年入选中组部青年高层次人才并加入中国科学技术大学化学与材料科学学院，2013年获批国家科技部青年973项目负责人并于2018年获结题优秀，2020年获自然科学基金委杰出青年基金资助。

江俊博士主要从事理论化学研究，发展融合人工智能与大数据技术的量子化学方法，聚焦于复杂体系内电子运动模拟，研究在多个物理与化学应用领域（能源催化、功能材料、光化学、谱学）中的实际问题。在国际知名SCI期刊如Nat. Energy, Nat. commun., J. Am. Chem. Soc., Angew. Chem. Int. Ed., Phys. Rev. Lett., Adv. Mater. and Nano Lett等发表论文150余篇。在量子器件和新村料领域获专利10余项。主持开发6个计算软件包在国内外研究机构和产业应用，为企业创造产值近亿元。曾获2011年中科院优秀博士论文奖、2015年中国化学会唐敖庆青年理论化学家奖、2017年安徽省青年科技奖、2020年日本化学会亚洲杰出讲座奖（人工智能在理论化学中的应用）。

Dr. Jun Jiang was born in HuNan, China, in 1978. He received a B.S. degree in Theoretical Physics (Talent Base Class of Physics) in 2000 at WuHan University, China, a Ph.D. degree in Theoretical Chemistry under the tutelage of Prof. Yi Luo in 2007 at Royal Institute of Technology, Sweden, a Ph.D. degree in Solid State Physics under the tutelage of Prof. Wei Lu in 2008 at Shanghai Institute of Technical Physics, Chinese Academy of Science. From 2008 to 2011, he worked as Post-doc at Royal Institute of Technology, Sweden and University of California Irvine under the tutelage of Prof. Shaul Mukamel. He joined the University of Science and Technology of China in December, 2011 as a Professor working in Theoretical, Physical and Materials Chemistry.

Dr. Jiang’s research interests focus on the development and employment of multi-scale modeling methods and Machine learning techniques, for simulating Charge kinetics in complex system. He targets on a wide range of physics or chemistry applications such as Photocatalysis, Biochemistry, Photochemistry, Molecular electronics and photonics. He has published more than 50 papers in prestigious journals such as Nature Energy, J. Am. Chem. Soc., Angew. Chem. Int. Ed., Phys. Rev. Lett., Adv. Mater. Dr. Jiang is a recipient of the National Science Fund for Distinguished Young Scholars, China, and has won the “Young Theoretical Chemistry Investigator Award of Chinese Chemistry Society”, “Distinguished Lectureship Award of the Chemical Society of Japan”, and the chief scientist title of a prestigious national 973 project for young scientists and got the excellent award in 2018.

团队成员 Members

热忱欢迎研究生、博士后、访问学者加盟本课题组，一起探索神奇的理论化学世界，开展量子化学和人工智能结合的前沿探索。与欧美多个著名研究组有长期合作，可根据实际情况前往合作研究、联合培养或继续深造。
We cordially welcome students, postdoctoral fellows and visitor researchers who are enthusiastic about research related to the following fields: quantum chemistry, machine Learning for chemistry, solid state physics, molecular dynamics, catalysis, photochemistry, electrochemistry, molecular electronics.

特任副研与博士后招聘 Researcher Employment

  • 访问学者唐绍彬教授荣获江西省井冈学者特聘教授称号
  • 毕业博士杨丽获2021年欧盟玛丽居里奖学金，前往德国深造。玛丽居里学者基金在国际上享有很高的声誉，是欧盟资助个人科研的最高奖项之一。
  • 访问学者钟文辉获聘曲阜师范大学教授
  • 毕业博士谢李燕2020年中科院院长优秀奖，获聘浙江师范大学副教授
  • 出站博士后胡伟获得山东省“青年泰山学者”荣誉称号，获聘齐鲁工业大学教授
  • 毕业博士李喜玉获聘中国科学技术大学副研究员
  • 硕士研究生冯超获2018年安徽省十佳大学生称号，获第十三届“中国大学生年度人物”入围奖！
  • 毕业博士伍子夜获聘贵州财经大学副教授
  • 毕业博士刘研获聘安徽师范大学副教授
  • 毕业博士杨丽获2017年中国科学技术大学“优秀博士论文”，获聘安徽大学副教授
  • 博士研究生李喜玉获2015年中国科学技术大学“郭永怀研究生奖学金”！
  • 博士研究生王翕君获2015年中国科学技术大学“兴业研究生奖学金”！
  • 硕士研究生刘研获2015年中国科学技术大学化学与材料科学学院研究生奖学金！

    • 副研究员与访问学者 Associate Researcher and Visiting Scholars

    1. 钟文辉 教授
    2. 张国桢 副研究员
    3. 王赵武 副教授

    博士生 Ph.D. Candidates

    1. 李喜玉
    2. 杨丽
    3. 王翕君
    4. 李军
    5. 刘研
    6. 伍子夜
    7. 李磊磊

    硕士生 Master Students

    1. 叶贵
    2. 杨彤彤
    3. 李任之
    4. 刘然
    5. 王涛
    6. 谢茂林

    研究方向 Research Profile

    本课题组的研究聚焦于复杂体系内电子运动行为的理论模拟。通过研究解决多个物理与化学应用领域（光催化、生物化学、光化学、分子电子学与光子学）中的实际科学问题，结合量子化学与人工智能技术，发展和应用多尺度的基础理论方法，揭示功能分子、复合材料、生物系统等复杂体系的构效关系、微观机制和协同原理。

    Dr. Jiang’s research interests focus on the development and employment of multi-scale modeling methods and Machine learning techniques, for simulating Charge kinetics in complex system. He targets on a wide range of physics or chemistry applications such as Photocatalysis, Biochemistry, Photochemistry, Molecular electronics and photonics.

    基本原理 Basic Principle

    现代物理与化学应用依赖于对电子动力学过程（空间、时间、能量信息）的观测和调控

    Modern physics or chemistry applications rely on the detection and manipulation of charge kinetics: the space, time, energy information of excited electrons.


    复杂体系电子运动的多尺度理论模拟揭示关键物理化学过程

    First-principles based multi-scale modeling of charge kinetics reveals key physics and chemistry processes in complex system


    结合人工智能从大量谱学数据中揭示结构、性质与谱学的内在联系

    计算化学+人工智能 Data-driven AI-based Theoretical Chemistry

    复杂相互作用模拟揭示分子体系结构演化、功能机理、激子态动力学信息 Simulations of complicated interactions reveal structural evolutions, functions, exciton dynamics

    H.S. Yu, et. al., J. Jiang*, J. Phys. Chem. A 2020, 124, 3844 S. Sheng, et. al., S. Mukamel*, J. Jiang*, Proc. Natl. Acad. Sci. U.S.A. 2019, 116, 11612 W. Hu, et. al., J. Jiang*, J. Phys. Chem. Lett. 2019, 10, 6026

    光电作用 Photo-electron Coupling

    发展基于量子力学的密度矩阵演化模型分析复杂分子体系非线性光谱中多个维度（空间、时间、能量等）电荷运动的信息 Develop a simulation protocol using QM-based energy and vibronic levels in conjunction with rate equations to describe charge kinetics

    S. Sheng, et. al., J. Jiang*, J. Am. Chem. Soc. 2020, 142, 19071 S. Sheng, et. al., S. Mukamel*, J. Jiang*, Proc. Natl. Acad. Sci. U.S.A. 2019, 116, 11612 G.Z. Zhang, et. al., J. Jiang*, J. Phys. Chem. Lett. 2017, 8, 1031

    能量转换 Energy Conversion

    X.J. Wang, et. al., J. Jiang*, J. Am. Chem. Soc. 2020, 142, 7737 W. Hu, et. al., J. Jiang*, J. Phys. Chem. Lett. 2019, 10, 6026 C. Jia, et. al., J. Jiang*, Appl. Mater. Interfaces 2019, 11, 9629

    微观机制和多过程协同效应 Synergize micro-processes & multi-mechanisms

    协同光电作用、电荷转移、能量转换多个微观过程，发展材料设计 Synergize photo-electron interaction, charge migration, energy conversion toward high-performance material design

    D.B. Liu, et. al. , J. Jiang*, L. Song*, Nat. Energy. 2019, 4, 512 S.B. Tang, et. al., J. Jiang*, J. Am. Chem. Soc. 2020, 142, 19308

    材料设计诱导电荷极化调控化学性质 Material design to induce charge polarizations for enhanced chemical properties

    L. Yang, et. al. J. Jiang*, Nat. Commun. 2017, 8 , 16049 Y. Chen, et. al. J. Jiang*, C.W. Zou*, Nat. Commun. 2018, 9 , 818 L.Y. Xie, et. al. J. Jiang*, J. Am. Chem. Soc. 2020, 142, 4136

    方法、资源、项目 Methods, Resource, Projects

    发表论文 Publications

    1. W. Li, Cong Liu, C.K. Gu, J.-H. Choi, S. Wang*, J. Jiang*, Interlayer Charge Transfer Regulates Single-Atom Catalytic Activity on Electride/Graphene 2D Heterojunctions, J. Am. Chem. Soc. 145 (2023) 4774-4783.
    2. Y.Y. Chong, Y.Y. Huo, S. Jiang, X.J. Wang, B.C. Zhang, T.F. Liu, X. Chen, T.T. Han, P.E. Smith, S. Wang*, J. Jiang*, Machine learning of spectra-property relationship for imperfect and small chemistry data, Proc Natl Acad Sci USA. 120 (2023) e2220789120.
    3. L.H. Mou, T.T. Han, P.E. Smith, E. Sharman*, J. Jiang*, Machine Learning Descriptors for Data-Driven Catalysis Study, Adv. Sci. 10 (2023) 2301020.
    4. Q. Zhu, Y. Huang, D.L. Zhou, L.Y. Zhao, L.L. Guo, R.Y. Yang, Z.X. Sun, M. Luo, F. Zhang, H.Y. Xiao, X.S. Tang, X.C. Zhang, T. Song, X. Li, B.C. Chong, J.Y. Zhou, Y.H. Zhang, B.C. Zhang, J.Q. Cao, G.Z. Zhang, S. Wang, G.L. Ye, W.J. Zhang, H.T. Zhao, S. Cong, H.R. Li, L.L. Ling, Z. Zhang, W.W. Shang*, J. Jiang*, Y. Luo*, Automated synthesis of oxygen-producing catalysts from Martian meteorites by a robotic AI chemist, Nature Synthesis (2023) DOI : 10.1038/s44160-023-00424-1.
    5. Z.H. Zou, Y.J. Zhang*, L.J. Liang, M.Z. Wei, J.C. Leng, J. Jiang*, Y. Luo*, W. Hu*, A deep learning model for predicting selected organic molecular spectra, , Nature Computational Science (2023) DOI: 10.1038/s43588-023-00550-y.
    6. H.T. Zhao*, W. Chen, H. Huang, Z.H. Sun, Z.J. Chen, L.J. Wu, B.C. Zhang, F.M. Lai, Z. Wang, M. L. Adam, C.H. Pang, P. K. Chu, Y. Lu, T. Wu, J. Jiang*, Z.Y. Yin*, X.F. Yu*, A robotic platform for the synthesis of colloidal nanocrystals, Nature Synthesis 2 (2023) 505-514.
    7. Y.F. Xie, S. Feng, L.X. Deng, A.R Cai, L.Y. Gan, Z.F. Jiang, P. Yang, G.L. Ye, Z.Q. Liu, L. Wen, Q. Zhu, W.J. Zhang, Z.P. Zhang, J.H. Li, Z.Y. Feng, C.T. Zhang, W.J. Du, L.X. Xu, J. Jiang*, X. Chen*, G. Zou*, Inverse design of chiral functional films by a robotic AI-guided system, Nat. Commun. 14 (2023) 6177.
    8. M. Hu, Ye, K. Ye, G.Z. Zhang, X.Y. Li*, J. Jiang*, Insight into the Mechanism for Catalytic Activity of Oxygen/Hydrogen Evolution Reaction on Dual-site Catalyst, J. Phys. Chem. Lett. 14 (2023) 2201-2207.
    9. M. Eshete, X.Y. Li, L. Yang, X.J. Wang, J.X. Zhang, L.Y. Xie, L.J. Deng, G.Z. Zhang, J. Jiang*, Charge Steering in Heterojunction Photocatalysis: General Principles, Design, Construction, and Challenges, Small Sci. ?? (2023) 2200041.
    10. H. Ren, Q. Zhang, Z.J. Wang, G.Z. Zhang, H.Z. Liu, W.Y. Guo, S. Mukamel*, J. Jiang*, Machine Learning Recognition of Protein Secondary Structures based on Two-Dimensional Spectroscopic Descriptors, Proc Natl Acad Sci USA. 119 (2022) e2202713119.
    11. Q. Zhu, F. Zhang, Y. Huang, H.Y. Xiao, L.Y. Zhao, X.C. Zhang, T. Song, X.S. Tang, X. Li, G. He, B.C. Chong, J.Y. Zhou, Y.H. Zhang, B.C. Zhang, J.Q. Cao, M. Luo, S. Wang, G.L. Ye, W.J. Zhang, X. Chen, S. Cong, D.L. Zhou, H.R. Li, J.L. Li, G. Zou, W.W. Shang*, J. Jiang*, Y. Luo*, An all-round AI-Chemist with scientific mind, Natl. Sci. Rev. 9 (2022) nwac190.
    12. X.J. Wang, S. Jiang, W. Hu, S. Ye, T.R. Wang, F. Wu, L. Yang, X.Y. Li, G.Z. Zhang, X. Chen*, J. Jiang*, Y. Luo*, Quantitatively Determining Surface–Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning, J. Am. Chem. Soc. 144 (2022) 16069-16076.
    13. B.C. Zhang, X.L. Zhang, W.J. Du, G.Z. Zhang, G.Q. Zhang, Y. Wang, X. Chen*, J. Jiang*, Y. Luo*, Chemistry Informed Molecular Graph as Reaction Descriptors for Machine Learned Retro-Synthesis Planning, Proc Natl Acad Sci USA. 119 (2022) e2212711119.
    14. 9. Y. Zhong, J.X. Low, Q. Zhu, Y.W. Jiang, X.W. Yu, X.Y. Wang, F. Zhang, W.W. Shang, R. Long*, Y.F. Yao*, W. Yao, J. Jiang*, Y. Luo, W.H. Wang, J.L. Yang, Z.G. Zou*, Y.J. Xiong*, In situ resource utilization of lunar soil for highly efficient extraterrestrial fuel and oxygen supply, Natl. Sci. Rev. 9 (2022) nwac200.
    15. C.Y. Jia, Q. Wang, J. Yang, K. Ye, X.Y. Li, W.H. Zhong, H.J. Shen, E. Sharman, Y. Luo, J. Jiang*, Toward Rational Design of Dual-Metal-Site Catalysts: Catalytic Descriptor Exploration, ACS Catal. 12 (2022) 3420-3429.
    16. Q. Zhu, W. Jiang, K. Ye, S.R. Jin, W. Dong, S.D. Liu, G.Z. Zhang, C. Tian, Y. Luo, Y.C. Wang*, J. Jiang*, Hydrogenated Oxide Material for Self-targeting and Automatic-degrading Photothermal Tumor Therapy in the NIR-Ⅱ Bio-window, Adv. Funct. Mater. 32 (2022) 202110881.
    17. Y. Zhao*, M. Hu, H.R. Li, B.H. Chu, Y. Huang, C.Y. Jia, Z.W. Zhuo, Y. Luo, J. Jiang*, The role of adsorbed hydroxide reduction in hydrogen evolution and nitrogen reduction reactions in aqueous solution, J. Mater. Chem. A 10 (2022) 18609-18615.
    18. Y.Q. Zhang, X.H. Wang, T.Y. Liu, Q. Dang, L. Zhu, Y. Luo, J. Jiang*, S.B. Tang*, Charge and Spin Communication between Dual Metal Single-Atom Sites on C2N Sheet: Regulating Electronic Spin Moments of Fe Atom for N2 Activation and Reduction, J. Mater. Chem. A 10 (2022) DOI: 10.1039/D2TA06574F.
    19. B.H. Cheng, L.J. Deng, J. Jiang, H. Jiang*, Catalytic cycloaddition of CO2 to epoxides by the synergistic effect of acidity and alkalinity in a functionalized biochar, Chem. Eng. J. ?? (2022) In press.
    20. X.D. Wan, Y.Y. Gao, M. Eshete, M. Hu, R.R. Pan, H.Z. Wang, L.Z. Liu, J. Liu*, J. Jiang, S. Brovelli, J.T. Zhang*, Simultaneous harnessing of hot electrons and hot holes achieved via n-metal-p Janus plasmonic heteronanocrystals, Nano Energy 31 (2022) 107217.
    21. S. Ye, G.Z. Zhang, J. Jiang*, AI-based Spectroscopic Monitoring of Dynamic Interactions between SARS-CoV-2 and Human ACE2, Proc Natl Acad Sci USA. 118 (2021) e2025879118.
    22. W.H. Zhong, Y. Qiu, H.J. Shen, X.J. Wang, J.Y. Yuan, C.Y. Jia, S.W. Bi, J. Jiang*, Electronic Spin Moment as a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N, J. Am. Chem. Soc. 143 (2021) 4405-4413.
    23. L.Y. Zhao, J.X. Zhang, Y.L. Zhang, S. Ye, G.Z. Zhang, X. Chen, B. Jiang*, J. Jiang*, Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors, JACS Au 1 (2021) 2377-2384.
    24. R.R. Pan, M. Hu, J. Liu*, D.F. Li, X.D. Wan, H.Z. Wang, Y.M. Li, X.M. Zhang, X.L. Wang, J. Jiang*, J.T. Zhang*, Two-Dimensional All-in-One Sulfide Monolayers Driving Photocatalytic Overall Water Splitting, Nano Lett 21 (2021) 6228-6236.
    25. M. Hu, Q. Zhu, Y. Zhao, G.Z. Zhang, C.W. Zou, O. Prezhdo, J. Jiang*, Facile Removal of Bulk Oxygen Vacancy Defects in Metal Oxides Driven by Hydrogen-Dopant Evaporation, J. Phys. Chem. Lett. 12 (2021) 9579-9583.
    26. Q. Dang, S.B. Tang*, T.Y. Liu, X.K. Li, X.J. Wang, W.H. Zhong, Y. Luo, J. Jiang*, Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS2 for Efficient Nitrogen Fixation, J. Phys. Chem. Lett. 12 (2021) 8355-8362.
    27. Z.T. Feng, Y.Y. Chong, S.X. Tang, Y. Fang, Y. Zhao, J. Jiang*, X.P. Wang*, A stable triplet diradical emitter, Chem. Sci. 12 (2021), 15151-15156.
    28. F. Hu*, L. Yang, Y.W. Jiang, C.X. Duan, X.N. Wang, L.J. Zeng, X.F. Lv, D.L. Duan, Q. Liu, T.T. Kong*, J. Jiang*, R. Long, Y.J. Xiong*, Ultrastable Cu Catalyst for CO2 Electroreduction to Multicarbon Liquid Fuels by Tuning C-C Coupling with CuTi Subsurface, Angew. Chem. Int. Ed. 60 (2021), DOI:10.1002/anie.202110303.
    29. J.X. Zhang, S. Ye, K. Zhong, Y.L. Zhang, Y.Y. Chong, L.Y. Zhao, H.T. Zhou, S.B. Guo, G.Z. Zhang, B. Jiang, S. Mukamel, J. Jiang*, A Machine-Learning Protocol for Ultraviolet Protein-Backbone Absorption Spectroscopy under Environmental Fluctuations, J. Phys. Chem. B 125 (2021) 6171-6178.
    30. H. Ren, H. Li, Q. Zhang, L.J. Liang, W.Y. Guo, F. Huang, Y. Luo*, J. Jiang*, A machine learning vibrational spectroscopy protocol for spectrum prediction and spectrum-based structure recognition, Fundamental Research 1 (2021) 488-494
    31. Y.L. Chen, C.L. Hu, L.Y. Xie, X.Y. Zhou, B.W. Li, H. Ren, L. Li, G.B. Zhang, J. Jiang*, C.W. Zou*, Spatially-resolved insulator-metal transition for rewritable optical gratings, Commun. Mater. 2 (2021) 34.
    32. S. Ye, K. Zhong, J.X. Zhang, W. Hu, J. Hirst, G.Z. Zhang, S. Mukamel, J. Jiang*, A Machine Learning Protocol for Predicting Protein Infrared Spectra, J. Am. Chem. Soc. 142 (2020) 19071-19077.
    33. S.B. Tang, Q. Dang, T.Y. Liu, S.Y. Zhang, Z.G. Zhou, X.K. Li, X.J. Wang, E. Sharman, Y. Luo, J. Jiang*, Realizing A Not-Strong-Not-Weak Polarization-Electric Field in Single Atom Catalysts Sandwiched by Boron-Nitride and Graphene Sheets for Efficient Nitrogen Fixation, J. Am. Chem. Soc. 142 (2020) 19308-19315.
    34. X.J. Wang, S. Ye, W. Hu, E. Sharman, R. Liu, Y. Liu, Y. Luo, J. Jiang*, Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface-Molecular Adsorbate Interactions, J. Am. Chem. Soc. 142 (2020) 7737-7743.
    35. L.Y. Xie, Q. Zhu, G.Z. Zhang, K. Ye, C.W. Zou, O. V. Prezhdo, Z.W. Wang, Y. Luo, J. Jiang*, Tunable Hydrogen Doping of Metal Oxide Semiconductors with Acid-Metal Treatment at Ambient Condition, J. Am. Chem. Soc. 142 (2020) 4136-4140.
    36. Y.N. Gong, W.H. Zhong, Y. Li, Y.Z. Qiu, L.R. Zheng, J. Jiang*, H.L. Jiang*, Regulating Photocatalysis by Spin-State Manipulation of Cobalt in Covalent Organic Frameworks, J. Am. Chem. Soc. 142 (2020) 16723-16731.
    37. Q. Zhu, S.L. Jiang, K. Ye, W. Hu, J.C. Zhang, X.Y. Niu, Y.X. Lin, S.M. Chen, L. Song, Q. Zhang*, J. Jiang*, Y. Luo*, Hydrogen-doping induced metal-like ultrahigh free-carrier concentration in metal-oxide material for giant and tunable plasmon resonance, Adv. Mater. 32 (2020) 2004059.
    38. J.C. Sun, S. Feng, X.J. Wang, G.Z. Zhang, Y. Luo, J. Jiang*, Regulation of Electronic Structure of Graphene Nanoribbon by Tuning Long-Range Dopant–Dopant Coupling at Distance of Tens of Nanometers, J. Phys. Chem. Lett. 11 (2020) 6907-6913.
    39. S.B. Tang, T.Y. Liu, Q. Dang, X.H. Zhou, X.K. Li, T.T. Yang, Y. Luo, E. Sharman, J. Jiang*, Synergistic Effect of Surface-Terminated Oxygen Vacancy and Single-Atom Catalysts on Defective MXenes for Efficient Nitrogen Fixation, J. Phys. Chem. Lett. 11 (2020) 5051-5058.
    40. M. Eshete, L. Yang, E. Sharman, X.Y. Li, X.J. Wang, G.Z. Zhang, J. Jiang*, Enabling Efficient Charge Separation for Optoelectronic Conversion via an Energy-Dependent Z-Scheme n-Semiconductor-Metal-p-Semiconductor Schottky Heterojunction, J. Phys. Chem. Lett. 11 (2020) 3313-3319.
    41. Q. Zhu, K. Ye, W. Zhu, W.J. Xu, C.W Zou, L. Song, E. Sharman, L.J. Wang, S.Y. Jin, G.Z. Zhang, Y. Luo, J. Jiang*, A Hydrogenated Metal-Oxide with Full Solar Spectrum Absorption for Highly Efficient Photothermal Water Evaporation, J. Phys. Chem. Lett. 11 (2020) 2502-2509.
    42. Z.W. Wang, X.J. Wang, E. Sharman, X.Y. Li, G.Z. Zhang, J. Jiang*, Tuning Phase Transitions in Metal Oxides by Hydrogen Doping: A First-Principles Study, J. Phys. Chem. Lett. 11 (2020) 1075-1080.
    43. B.W. Li, M. Hu, H. Ren, C.L. Hu, L. Li, G.Z. Zhang, J. Jiang*, C.W. Zou*, Atomic origin for hydrogenation promoted bulk oxygen vacancies removal in vanadium dioxide, J. Phys. Chem. Lett. 11 (2020) 10045-10051.
    44. X.Y. Li, S. Duan, E. Sharman, Y. Zhao, L. Yang, Z.W. Zhuo, P. Cui, J. Jiang*, Y. Luo Exceeding the volcano relationship in oxygen reduction/evolution reactions using single-atombased catalysts with dual-active-sites, J. Mater. Chem. A 8 (2020) 10193–10198.
    45. C.Y. Jia, Y.J. Zhang, X.J. Wang, W.H. Zhong, O. V. Prezhdo, Y. Luo, J. Jiang*, Sharp-Tip Enhanced Catalytic CO Oxidation by Atomically Dispersed Pt1/Pt2 on Raised Graphene Oxide Platform, J. Mater. Chem. A 8 (2020) 12485-12494.
    46. Z.W. Zhang, L.J. Deng, Z. Zhao, Y.T. Zhao, J.Y. Yang, J. Jiang*, G.S. Huang*, Y.F. Mei, Nickel nanograins anchored on a carbon framework for an efficient hydrogen evolution electrocatalyst and a flexible electrode, J. Mater. Chem. A 8 (2020) 3499-3508.
    47. H.S. Yu, J. Jiang* Accelerating catalysts design by machine learning, Science Bulletin 19 (2020) 1593-1594.
    48. H.S. Yu, Y. Wang, X.J. Wang, J.X. Zhang, S. Ye, Y. Huang, Y. Luo, E. Sharman*, S.L. Chen*, J. Jiang*, Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls, J. Phys. Chem. A 124 (2020) 3844-3850.
    49. J. Li*, Y.L. Han, H. Lin, N.H. Wu, Q.K. Li, J. Jiang*, J.H. Zhu*, Cobalt–Salen-Based Porous Ionic Polymer: The Role of Valence on Cooperative Conversion of CO2 to Cyclic Carbonate, ACS Appl Mater Interfaces. 12 (2020) 609-618.
    50. J. Li*, Y.L. Han, T. Ji, N.H. Wu, H. Lin, J. Jiang*, J.H. Zhu*, Porous Metallosalen Hypercrosslinked Ionic Polymers for Cooperative CO2 Cycloaddition Conversion, Ind. Eng. Chem. Res. 59 (2020) 676-684.
    51. Z. Wang, Y.L. Han, J. Liang, H.L. Huang, C.S. Hu, P. Liu, Ping; J.X. Xiang, Z.M. Qi, Y.L. Lu, K.H. Liu*, J. Jiang*, B. Xiang*, Hydrogenation-Induced Phase Transition in Atomic-Layered α-MoCl3 Driven by Laser Illumination in a Moist Atmosphere, ACS Appl. Electron. Mater. 2 (2020) 2678-2684.
    52. S. Ye, W. Hu, X. Li, J.X. Zhang, K. Zhong, G.Z. Zhang, Y. Luo, S. Mukamel*, J. Jiang*, A Neural Network Protocol for Electronic excitations of N-Methylacetamide, Proc Natl Acad Sci USA. 116 (2019) 11612-11617.
    53. D.B. Liu, X.Y. Li, S.M. Chen, H. Yan, C.D. Wang, C.Q. Wu, Y.A. Haleem, S. Duan, J.L. Lu, B.H. Ge, P.M. Ajayan, Y. Luo, J. Jiang*, L. Song*, Atomically dispersed platinum supported on curved carbon supports for efficient electrocatalytic hydrogen evolution, Nat. Energy 4 (2019) 512-518.
    54. S. Chen, Z.W. Wang, H. Ren, Y.L. Chen, W.S. Yan, C.M. Wang, B.W. Li, J. Jiang*, C.W. Zou*, Gate-Controlled VO2 Phase Transition for High-Performance Smart Window, Sci. Adv. 5 (2019) eaav6815.
    55. B.W Li, L.Y. Xie, Z.W. Wang, S. Chen, H. Ren, Y.L. Chen, C.M. Wang, G.B. Zhang, J. Jiang*, C.W. Zou*, Electron-proton co-doping induced metal-insulator transition in VO2 film via surface self-assembled L-ascorbic acid molecules, Angew. Chem. Int. Ed. 58 (2019), 13711-13716.
    56. Y. Zhao, X.J. Wang, S.Z. Yang, E. Kuttner, A. Taylor, R. Salemmilani, X. Liu, M. Moskovits, B.H. Wu, A. Dehestani, J.F. Li, M. Chisholm, Z.Q. Tian, F. Fan*, J. Jiang*, G. Stucky*, Protecting the Nanoscale Properties of Ag Nanowires with an Epitaxially Grown Single SnO2 Monolayer as Corrosion Inhibitor, J. Am. Chem. Soc. 141 (2019), 13977-13986.
    57. W. Du, Y.Y. Chong, X.M. Hu, Y.F. Wang, Y. Zhu, J.H. Chen, X.X. Li, Q. Zhang, G.F. Wang*, J. Jiang*, G.L. Liang*, Increasing Photothermal Efficacy by Simultaneous Intra-and Intermolecular Fluorescence Quenching, Adv. Funct. Mater. 30 (2019) 1908073.
    58. W. Hu, S. Ye, Y.J Zhang, T.D. Li, G.Z. Zhang, Y. Luo, S. Mukamel, J. Jiang*, Machine Learning Protocol for Surface-Enhanced Raman Spectroscopy, J. Phys. Chem. Lett. 10 (2019) 6026-6031.
    59. W.H. Zhong, G.Z. Zhang, Y.C. Zhang, C.Y. Jia, T.T. Yang, S.T. Ji, O. Prezhdo, J.Y. Yuan, Y. Luo, J. Jiang*, Enhanced Activity of C2N-Supported Single Co Atom Catalyst by Single Atom Promoter, J. Phys. Chem. Lett. 10 (2019) 7009-7014.
    60. T.T. Yang, Y. Huang, L. Yang, X.Y. Li, X.J. Wang, G.Z. Zhang, Y. Luo, J. Jiang*, Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail”, J. Phys. Chem. Lett. 10 (2019) 3129-3133.
    61. S.B. Tang, X.H. Zhou, T.Y. Liu, S.Y. Zhang, T.T. Yang, Y. Luo, E. Sharman, J. Jiang*, Single Nickel Atom Supported on Hybridized Graphene-Boron Nitride Nanosheet as a Highly Active Bi-functional Electrocatalyst for Hydrogen and Oxygen Evolution Reactions, J. Mater. Chem. A 7 (2019) 26261–26265.
    62. X.Y. Li, M. Eshete, X. Li, T. Xie, G.Z. Zhang, L.Y. Xie, C.Y. Jia, Y. Luo, J. Jiang*, A Novel Energy Dependent Heterojunction of p-Semiconductor―Metal―n-Semiconductor for Selectively Steering Charge Flow in Z-scheme Photocatalyst, J. Mater. Chem. A 7 (2019) 15036-15041.
    63. X.J. Wang, X. Jiang, E. Sharman, L. Yang, X.Y. Li, G.Z. Zhang, J. Zhao, Y. Luo, J. Jiang*, Isolating Hydrogen from Oxygen in Photocatalytic Water Splitting with Carbon-Quantum-Dot/Carbon-Nitride Hybrid, J. Mater. Chem. A 7 (2019) 6143-6148.
    64. C.Y. Jia, X.J. Wang, W.H. Zhong, Z.Z. Wang, O.V. Prezhdo, Y. Luo, J. Jiang*, Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O2 Activation and CO Oxidation by Au−Cu Bimetallic Clusters on TiO2(101), ACS Appl Mater Interfaces. 11 (2019) 9629-9640.
    65. S.B. Tang, X.H. Zhou, S.Y. Zhang, X.K. Li, T.T. Yang, W. Hu, J. Jiang*, Y. Luo, Metal-Free Boron Nitride Nanoribbon Catalysts for Electrochemical CO2 Reduction: Combining High Activity and Selectivity, ACS Appl Mater Interfaces. 11 (2019) 906-915.
    66. C. Feng, E. Sharman, S. Ye, Y. Luo, J. Jiang*, A neural network protocol for predicting molecular bond energy, Sci. China Chem. 62 (2019) 1698-1703.
    67. X.J. Wang, G.Z. Zhang, Z.W. Wang, L. Yang, X.Y. Li, J. Jiang*, Y. Luo*, Metal-enhanced hydrogenation of graphene with atomic pattern, Carbon 143 (2019) 700-705.
    68. Q.K. Li, X.F. Li, G.Z. Zhang*, J. Jiang*, Cooperative spin transition of monodispersed FeN3 sites within graphene induced by CO adsorption, J. Am. Chem. Soc. 140 (2018), 15149-15152.
    69. Z.Y. Wu, P. Cui, G.Z. Zhang, Y. Luo, J. Jiang*, Self-Adaptive Switch Enabling Complete Charge Separation in Molecular-Based Optoelectronic Conversion, J. Phys. Chem. Lett. 9 (2018) 837-843.
    70. W.H. Zhong, Y.X. Liu, M.S. Deng, Y.C. Zhang, C.Y. Jia, O.V. Prezhdo, J.Y. Yuan, J. Jiang*, C2N-Supported Single Metal Ion Catalyst for HCOOH Dehydrogenation, J. Mater. Chem. A 6 (2018) 11105-11112.
    71. X.J. Wang, G.Z. Zhang, L. Yang, E. Sharman, J. Jiang*, Material Descriptors for Photocatalyst/Catalyst Design, WIREs Comput Mol Sci. 8 (2018) e1369.
    72. Y.L. Chen, Z.W. Wang, S. Chen, H. Ren, L.X. Wang, G.B. Zhang, Y.L. Lu, J. Jiang*, C.W. Zou*, Y. Luo, Non-catalytic Hydrogenation of VO2 in Acid Solution, Nat. Commun. 9 (2018) 818.
    73. G.Z. Zhang, L. Yang, X.J. Wang, Z.Y. Wu, J. Jiang*, Y. Luo*, Energy Materials Design for Steering Charge Kinetics, Adv. Mater. 30 (2018) 1801988.
    74. T.T. Yang, S.B. Tang, X.Y. Li, E. Sharman, J. Jiang*, Y. Luo, Graphene Oxide-Supported Transition Metal Catalysts for Di-Nitrogen Reduction, J. Phys. Chem. C 122 (2018) 25441-25446.
    75. Y. Liu, Q. Zhu, X.Y. Li, G.Z. Zhang, Y.D. Liu, S.B. Tang, E. Sharman, J. Jiang*, Y. Luo, Combining High Photocatalytic Activity and Stability via Subsurface Defects in TiO2, J. Phys. Chem. C 122 (2018) 17221-17227.
    76. Z.Y. Wu, G.Z. Zhang, E. Sharman, P. Cui, J. Jiang*, Structure-dependent Luminescence of Tetra-(4-pyridylphenyl)ethylene: A First-Principles Study, Phys. Chem. Chem. Phys. 20 (2018) 41-45.
    77. C.Y. Jia, W.H. Zhong, M.S. Deng*, J. Jiang*, CO Oxidation on Ru-Pt Bimetallic Nanoclusters Supported on TiO2(101): the Effect of Charge Polarization, J. Chem. Phys. 148 (2018) 124701.
    78. L. Zhang, Z. W. Wang, S. J. Xiao, D. Peng, J. Q. Chen, R. P. Liang, J. Jiang* J. D. Qiu*, Fluorescent Molybdenum Oxide Quantum Dots and HgII Synergistically Accelerate Cobalt Porphyrin Formation: A New Strategy for Trace HgII Analysis, ACS Appl. Nano Mater. 1 (2018) 1484-1491.
    79. X. Zhang, E. Sharman, J. Jiang*, Two-dimensional ultraviolet spectroscopy of proteins, Sci. China Chem. 61 (2018) 1099-1109.
    80. R.Z. Li, B.J. Li, G.Z. Zhang, J. Jiang*, Y. Luo*, A High-Performance and Flexible Chemical Structure & Data Search Engine Built on CouchDB & ElasticSearch, Chin. J. Chem. Phys. 31 (2018) 341-349.
    81. Y.L. Chen, Z.W. Wang, S. Chen, H. Ren, B.W. Li, W.S. Yan, G.B. Zhang, J. Jiang, C.W. Zou*, Y. Luo, Electric-field control of Li-doping induced phase transition in VO2 film with crystal facet-dependence, Nano Energy 51 (2018) 300-307.
    82. J.X. Zhang, E. Sharman, L. Yang J. Jiang, G.Z. Zhang*, Aggregation-Induced Enhancement of Molecular Phosphorescence Lifetime: A First-Principle Study, J. Phys. Chem. C (2018) in press.
    83. L. Yang, X.Y. Li, G.Z. Zhang, P. Cui, X.J. Wang, X. Jiang, J. Zhao, Y. Luo, J. Jiang*, Combining photocatalytic hydrogen generation and capsule storage in graphene based sandwich structures, Nat. Commun. 8 (2017) 16049.
    84. X.J. Wang, Z.W. Wang, G.Z. Zhang, J. Jiang*, Insight into Electronic and Structural Reorganizations for Defect-Induced VO2 Metal-Insulator Transition, J. Phys. Chem. Lett. 8 (2017) 3129-3132.
    85. G.Z. Zhang, J. Li, P. Cui, T. Wang, J. Jiang*, O.V. Prezhdo, Two-Dimensional Linear Dichroism Spectroscopy for Identifying Protein Orientation and Secondary Structure Composition, J. Phys. Chem. Lett. 8 (2017) 1031-1037.
    86. Z.W. Wang, X.Y. Li, G.Z. Zhang, Y. Luo, J. Jiang*, Suppressing Electron–Phonon Coupling through Laser-Induced Phase Transition, Appl Mater Interfaces 9 (2017) 23309-23313.
    87. S. Chen, Z.W. Wang, L.L. Fan, Y.L. Chen, H. Ren, H. Ji, D. Natelson, Y.Y. Huang, J. Jiang*, C.W. Zou*, Sequential insulator-metal-insulator phase transitions of VO2 triggered by hydrogen doping, Phys. Rev. B 96 (2017) 125130.
    88. J. Wang, W.H. Zhong, X.Y. Liu, T.T. Yang, F. Li, Q. Li, W.R. Cheng, C. Gao, Z. Jiang, J. Jiang*, H. Cui*, Highly active graphene oxide-supported cobalt single-ion catalyst for chemiluminescence reaction, Anal. Chem. 89 (2017) 13518-13523.
    89. H.B. Li*, J. Jiang*, Y. Luo, Identification of the protonation site of gaseous triglycine: the cis-peptide bond conformation as the global minimum, Phys. Chem. Chem. Phys. 19 (2017) 15030-15038.
    90. H.B. Li*, A.D. Hu, J. Jiang*, Y. Luo, Systematic study on hydrated arginine: clear theoretical evidence for the canonical-to-zwitterionic structure transition, J. Phys. Chem. A 121 (2017) 3598-3605.
    91. H.B. Li*, J. Jiang*, Y. Luo, Identification of the smallest peptide with a zwitterion as the global minimum: a first-principles study on arginine-containing peptides, Phys. Chem. Chem. Phys. 19 (2017) 12117-12126.
    92. Q. Zhu, X.J. Wang, J. Jiang*, A.W. Xu*, “Healing” Effect of Graphene Oxide in Achieving Robust Dilute Ferromagnetism in Oxygen-Deficient Titanium Dioxide, J. Phys. Chem. C 121 (2017) 22806-22814.
    93. W. Hu, S. Duan, Y.J. Zhang, H. Ren, J. Jiang*, Y. Luo*, Identifying Structure of 4-chlorophenyl Isocyanide Adsorbed on Au(111) and Pt(111) Surfaces by First Principle Simulations of Raman Spectra, Phys. Chem. Chem. Phys. *** (2017) ***.
    94. J. Li, L. Yang, G.Z. Zhang* J. Jiang, Tuning Light Adsorption in Platinum(II) Terpyridyl π–Conjugated Complexes: A First-Principle Study, J. Phys. Chem. A 121 (2017) 5533-5539.
    95. X.Y. Li, W.H. Zhong, P. Cui, J. Li, J. Jiang*, Design of Efficient Catalysts with Double Transition Metal Atoms on C2N Layer, J. Phys. Chem. Lett. 7 (2016) 1750-1755.
    96. L. Yang, X.J. Wang, G.Z. Zhang, X.F. Chen, G.Q. Zhang, J. Jiang*, Aggregation-Induced Intersystem Crossing: A Novel Strategy for Efficient Molecular Phosphorescence, Nanoscale 8 (2016) 17422-17426.
    97. X.Y. Li, P. Cui, W.H. Zhong, J. Li, X.J. Wang, Z.W. Wang, J. Jiang*, Graphitic Carbon Nitride Supported Single-atom Catalysts for Efficient Oxygen Evolution Reaction, Chem. Commun. (2016) 13233-13236.
    98. N. Zhang, X.Y. Li, H.C. Ye, S.M. Chen, H.X. Ju, D.B. Liu, Y. Lin, W. Ye, C.M. Wang, Q. Xu, J.F Zhu, L. Song, J. Jiang*, Y.J. Xiong*, Oxide Defect Engineering Enables to Couple Solar Energy into Oxygen Activation, J. Am. Chem. Soc. 138 (2016) 8928-8935.
    99. T.-T. Zhuang, Y. Liu, Y. Li, Y. Zhao, L. Wu, J. Jiang*, S.-H. Yu*, Integration of Sulfides Enables Enhanced Full-Spectrum Solar Energy Absorption with Efficient Charge Separation, Angew. Chem. Int. Ed. 55 (2016) 6396-6400.
    100. T.-T. Zhuang, Y. Liu, M. Sun, S.-L. Jiang, M.-W. Zhang, X.-C. Wang, Q. Zhang, J. Jiang*, S.-H. Yu*, A Unique Ternary Semiconductor-(Semiconductor/Metal) Nano-Architecture for Efficient Photocatalytic Hydrogen Evolution, Angew. Chem. Int. Ed. 54 (2015) 11495-11500.
    101. S. Chen, X.J. Wang, L.L. Fan, G.M.Liao, Y.L.Chen, W.S. Chu, L. Song, J. Jiang*, C.W. Zou*, The dynamic phase transition modulation of ion-liquid gating VO2 thin film: the oxygen vacancies formation, diffusion and recovery, Adv. Funct. Mater. 26, (2016) 3532-3541.
    102. C.Y. Jia, G.Z. Zhang, W.H. Zhong, J. Jiang*, A First Principle Study of Synergized O2 Activation and CO Oxidation by Ag Nanoparticles on TiO2(101) Support, ACS Applied Materials & Interfaces. 8 (2016) 10315-10323.
    103. Z.Y. Gong, S. Duan, G.J. Tian, G.Z. Zhang, J. Jiang*, Y. Luo Optical Excitation in Donor-Pt-Acceptor Complexes: Role of the Structure, J. Phys. Chem. A 120 (2016) 3547-3553.
    104. C.Y. Jia, W.H. Zhong, M.S. Deng, J. Jiang*, Microscopic Insight into the Activation of O2 by Au Nanoparticles on ZnO(101) Support, J. Phys. Chem. C 120 (2016) 4322-4328.
    105. W.H. Zhong, J.X. Liang, W. Hu, C.Y. Jia, J. Jiang*, The O, OH and OOH-Assisted Selective Coupling of Methanol on Au-Ag(111), Phys. Chem. Chem. Phys. 18 (2016) 9969-9978.
    106. N.N. Yuan, W.Q. Wang, Z.Y. Wu, S. Chen, G.W. Tan, Y.X. Sui, X.P. Wang* J. Jiang*, P.P. Power*, A boron-centered radical: a potassium-crown ether stabilized boryl radical anion, Chem. Commun. 52, (2016) 12714-12716.
    107. J. Zhang, L. Yang, Y. Yuan, J. Jiang*, S.H. Yu*, One-Pot Gram-Scale Synthesis of Nitrogen and Sulfur Embedded Organic Dots with Distinctive Fluorescence Behaviors in Free and Aggregated States, Chem. Mater. 28 (2016) 4367-4374.
    108. H.H. Li, M.L. Xie, C.H. Cui, D. He, M. Gong, J. Jiang*, Y. R. Zheng, G. Chen, Y. Lei, S.H. Yu*, Surface Charge Polarization at the Interface: Enhancing the Oxygen Reduction via Precise Synthesis of Heterogeneous Ultrathin Pt/PtTe Nanowire, Chem. Mater. 28, (2016) 8890-8898.
    109. T.Q. Xie, L. Yang, X.X. Sun, J. Jiang*, X.P. Zhang*, Y. Luo, G.Q. Zhang*, UV gelation of single-component polyacrylates bearing dinitrobenzoate side groups, Chem. Commun. 52 (2016) 9383–9386.
    110. D. Liu, M.L. Xie, C.M. Wang*, L. Qiu, Q.C. Yuan, R. Long, J. Jiang*, Y. Xiong*, Pd-Ag alloy hollow nanostructures with interatomic charge polarization for enhanced electrocatalytic formic acid oxidation, Nano Res. 9 (2016) 1590-1599.
    111. G. Huang, L. Yang, X. Ma, J. Jiang*, S.-H. Yu, H. L. Jiang*, Metal-Organic Framework Templated Porous Carbon for Highly Efficient Catalysis: The Critical Role of Pyrrolic N Species, Chem. Eur. J. 22 (2016) 3470–3477.
    112. S. Bai, M.L. Xie, Q. Kong, W.Y. Jiang, R. Qiao, Z.Q. Li*, J. Jiang*, Y. Xiong*, Incorporation of Pd into Pt Co-catalysts toward Enhanced Photocatalytic Water Splitting, Part Part Syst Charact. 33 (2016) 506-511.
    113. Z. Zheng, P.Y. Chen, M.L. Xie, C.F. Wu, Y.F. Luo, W.T. Wang, J. Jiang, G.L. Liang*, Cell Environment-Differentiated Self-Assembly of Nanofibers, J. Am. Chem. Soc. 138 (2016) 11128-11131.
    114. X.F. Chen, C. Xu, T. Wang, C. Zhou, J.J. Du, Z.P. Wang, H.X. Xu, T.Q. Xie, G.Q. Bi, J. Jiang, X.P. Zhang*, J. N. Demas, C. O. Trindle, Y. Luo, G.Q. Zhang*, Versatile Room-Temperature-Phosphorescent Materials Prepared from N-Substituted Naphthalimides: Emission Enhancement and Chemical Conjugation, Angew. Chem. Int. Ed. 55 (2016) 9872-9876.
    115. Y. Li, Z. Wang, T. Xia, H. Ju, K. Zhang, R. Long, Q. Xu, C. Wang, L. Song, J. Zhu, J. Jiang, Y. Xiong*, Implementing Metal-to-Ligand Charge Transfer in Organic Semiconductor for Improved Visible-Near-Infrared Photocatalysis, Adv. Mater. 28 (2016) 6959–6965.
    116. N. Du, C.M. Wang, X.J. Wang, Y. Lin, J. Jiang, Y. Xiong*, Trimetallic TriStar Nanostructures: Tuning Electronic and Surface Structures for Enhanced Electrocatalytic Hydrogen Evolution, Adv. Mater. 28 (2016) 2077-2084.
    117. W. Jiang, S. Bai, L. Wang, X.J. Wang, L. Yang, Y. Li, D. Liu, X. Wang, Z. Li, J. Jiang, Y. Xiong*, Integration of Multiple Plasmonic and Co-catalyst Nanostructures on TiO2 Nanosheets for Visible-near-infrared Photocatalytic Hydrogen Evolution, Small 12 (2016) 1640-1648.
    118. Z. Zheng, J.H. Wang, P.Y. Chen, M.L. Xie, L. Zhang, Y.B. Hou, X. Zhang, J. Jiang, J.F. Wang*, Q.Y. Lu*, G. L. Liang*, Using L-STM to directly visualize enzymatic self-assembly/disassembly of nanofibers, Nanoscale 8 (2016) 15142–15146.
    119. L. Wang, X. Li, Z. Li, W. Chu, R. Li, K. Lin, H. Qian, Y. Wang, C. Wu, J. Li, D. Tu, Q. Zhang, L. Song, J. Jiang*, X. Chen, Y. Luo, Y. Xie, Y. Xiong*, A New Cubic Phase for NaYF4 Host Matrix Offering High Upconversion Luminescence Efficiency, Adv. Mater. 27 (2015) 5528-5533.
    120. J. Li, M. S. Deng, D. V. Voronine, S. Mukamel, J. Jiang*, Two-dimensional Near Ultraviolet (2DNUV) Spectroscopic Probe of Structural-dependent Exciton Dynamics in A Protein, J. Phys. Chem. B. 119 (2015) 1314–1322.
    121. W.H. Zhong* J. Jiang*, New Insight into CO Formation during HCOOH Oxidation on Pt(111): Intermolecular Dehydration of HCOOH Dimers, J. Phys. Chem. C. 119 (2015) 19287–19296.
    122. Y. Li, L. Li, Y. Gong, S. Bai, H. Ju, C. Wang, Q. Xu, J. Zhu, J. Jiang, Y. Xiong*, Towards Full-spectrum Photocatalysis: Achieving Z Scheme between Ag2S and TiO2 by Engineering Energy Band Alignment with Interfacial Ag Nano Res. 8 (2015) 3621-3629.
    123. Q. Q. Miao, Z. Y. Wu, Z. J. Hai, C. L. Tao, Q. P. Yuan, Y. D. Gong, Y. F. Guan, J. Jiang*, G. L. Liang*, Bipyridine hydrogel for selective and visible detection and absorption of Cd2+, Nanoscale 7 (2015) 2797–2804.
    124. Q. Zhang*, J. Ge, J. Jiang*, Z.G. Geng, S.L. Jiang, K.L. Fan, Z.K. Guo, J.H. Hu, Y. Chen, X.P. Wang, Y. Luo*, Bringing light into the dark triplet space of molecular systems, Phys. Chem. Chem. Phys. 17 (2015) 13129-13136.
    125. X. X. Sun, X.J. Wang, X. Y. Li, J. Ge, Q. Zhang*, J. Jiang*, G. Q. Zhang*, Polymerization-Enhanced Intersystem Crossing: New Strategy to Achieve Long-lived Exciton, Macromol Rapid Comm. 36 (2015) 298-303.
    126. M. S. Deng, G. Ye, S. H. Cai*, G. Y. Sun, J. Jiang*, Probing flexible conformations in molecular junctions by inelastic electron tunneling spectroscopy, AIP Advances. 5 (2015) 17144.
    127. S. Bai, J. Jiang, Q. Zhang, Y. Xiong*, Steering Charge Kinetics in Photocatalysis: Intersection of Materials Syntheses, Characterization Techniques and Theoretical Simulations, Chem. Soc. Rev. 44 (2015) 2893-2939.
    128. S. Bai, L. Yang, C. Wang, Y. Lin, J. Lu, J. Jiang, Y. Xiong*, Boosting Photocatalytic Water Splitting: Interfacial Charge Polarization in Atomically Controlled Core-shell Co-catalyst Angew. Chem. Int. Ed. 54 (2015) 14810-14814.
    129. D. Liu, L. Li, Y. Gao, C. Wang, J. Jiang, Y. Xiong*, The Nature of Photocatalytic “Water Splitting” on Silicon Nanowires, Angew Chem. Int. Ed. 54 (2015) 2980-2985.
    130. S. Liu, A. M. Tang, M. L. Xie, Y. D. Zhao, J. Jiang, G. L. Liang*, Oligomeric Hydrogels Self-Assembled from Reduction-Controlled Condensation , Angew Chem. Int. Ed. 54 (2015) 3639-3642.
    131. S. Bai, X. Li, Q. Kong, R. Long, C. Wang, J. Jiang, Y. Xiong*, Toward Enhanced Photocatalytic Oxygen Evolution: Synergetic Utilization of Plasmonic Effect and Schottky Junction via Interfacing Facet Selection Adv. Mater. 27 (2015) 3444-3452.
    132. Y. Bai, W.H. Zhang, Z.H. Zhang, J. Zhou, X.J. Wang, C. Wang, W.X. Huang*, J. Jiang*, Y. Xiong*, Controllably Interfacing with Metal: A Strategy for Enhancing CO Oxidation on Oxide Catalysts by Surface Polarization, J. Am. Chem. Soc. 136 (2014) 14650.
    133. L. L. Wang, J. Ge, A. L. Wang, M. S. Deng, X. J. Wang, S. Bai, R. Li, J. Jiang*, Q. Zhang*, Y. Luo, Y. J. Xiong *, Designing p-Type Semiconductor-Metal Hybrid Structures for Improved Photocatalysis, Angew Chem. Int. Ed. 53 (2014) 5107–5111.
    134. J. Jiang*, Z. Z. Lai, J. Wang*, S. Mukamel*, Signatures of the Protein Folding Pathway of Trp-cage in Two Dimensional Ultraviolet (2DUV) Spectroscopy, J. Phys. Chem. Lett., 5 (2014) 1341.
    135. R. Li, J. H. Hu, M. S. Deng, H. L. Wang, X. J. Wang, Y. L. Hu, H. L. Jiang, J. Jiang*, Q. Zhang*, Y. J. Xiong*, Integration of Inorganic Semiconductor with MOF: A Platform for Enhanced Gaseous Photocatalytic Reactions, Adv. Mater. 26 (2014) 4783.
    136. S. Bai, J. Ge, L. Wang, M. Gong, M.S. Deng, Q. Kong, L. Song, J. Jiang*, Q. Zhang*, Y. Luo, Y. Xie, Y. Xiong*, A Unique Semiconductor-Metal-Graphene Stack Design to Harness Charge Flow for Photocatalysis, Adv. Mater. 26 (2014) 5689.
    137. S. Bai, X. J. Wang, C. Hu, M. L. Xie, J. Jiang*, Y. J. Xiong*, Two-Dimensional g-C3N4: An Ideal Platform for Examining Facet Selectivity of Metal Co-Catalysts in Photocatalysis, Chem.Commun. 50 (2014) 6094–6097.
    138. X. P. Zhang, T. Q. Xie, M. X. Cui, L. Yang, X. X. Sun, J. Jiang*, G. Q. Zhang*, General Design Strategy for Aromatic Ketone-Based Single-Component Dual-Emissive Materials, Appl Mater Interfaces 6 (2014) 2279.
    139. S. Bai, X.Y. Li, Q. Kong, R. Long, C. Wang, J. Jiang, Y. Xiong*, Selecting Semiconductor Facets for Interfacing with Metals: A Strategy for Synergetic Utilization of Plasmonic Effect and Schottky Junction for Photocatalysis, In manuscript (2014).
    140. S. Bai, C. Wang, M. Deng, M. Gong, Y. Bai, J. Jiang, Y. Xiong*, Surface Polarization Matters: Enhancing Hydrogen Evolution Reaction by Shrinking Pt Shells in Pt-Pd-Graphene Stack Structures, Angew. Chem. Int. Ed. 53 (2014) 13120.
    141. R. Long, K. Mao, M. Gong, S. Zhou, J. Hu, M. Zhi, Y. You, S. Bai, J. Jiang, Q. Zhang*, X. Wu*, Y. Xiong*, Tunable Oxygen Activation for Catalytic Organic Oxidation: Schottky Junction versus Plasmonic Effect, Angew. Chem. Int. Ed. 53, 3205-3209 (2014).
    142. Z. Z. Lai, J. Jiang, S. Mukamel, J. Wang*, Exploring the protein folding dynamics of beta3s with two-dimensional ultraviolet (2DUV) spectroscopy, Isr. J. Chem., 54 (2014) 1394.
    143. J. Jiang*, K. J. Golchert, C. N. Kingsley, W. D. Brubaker, R. W. Martin*, S. Mukamel*, Exploring the Aggregation Propensity of γS-crystallin Protein Variants Using Two Dimensional Spectroscopic Tools, J. Phys. Chem. B., 117 (2013) 14294.
    144. R. Huang, X.-J. Wang, D.-L. Wang, F. Liu, B. Mei, A.-M. Tang, J. Jiang*, G.-L. Liang*. Multifunctional Fluorescent Probe for SequentialDetections of Glutathione and Caspase-3 in Vitro and in Cells, Anal. Chem. 85 (2013) 6203.
    145. Y. Yuan, X.-J. Wang, B. Mei, D. -X. Zhang, A.-M. Tang, L.-N. An, X.-X. He, J. Jiang*, G.-L. Liang*, Labeling Thiols on Proteins, Living Cells, and Tissues with Enhanced Emission Induced by FRET, Sci. Rep., 3 (2013) 3523.
    146. Z.-Z. Lai, N. K. Preketes, J. Jiang, S. Mukamel*, J. Wang*, Two-Dimensional Infrared (2DIR) Spectroscopy of the Peptide Beta3sFolding, J. Phys. Chem. Lett., 4 (2013) 1913.
    147. Q.-P. Zhang, X. Zheng*, J. Jiang, W. Liu*, Structural Stability of La2Ce2O7 as a Proton Conductor: A First-Principles Study, J. Phys. Chem. C., 117 (2013) 20379.
    148. Z.-L. Ding, J. Jiang, Z.-Q. Sun, G. Li, Y.-Q. Ma, X.-S. Chen*, Effect of edge passivation on electronic and transport properties of carbon nanotube-based molecular devices，Europhysics Lett., 100 (2012) 57001.
    149. J. Jiang*, S. Mukamel*,Probing Amyloid Fibril Growth by Two Dimensional Near Ultraviolet (2DNUV) Spectroscopy,J. Phys. Chem. B115 (2011) 6321.
    150. A. R. Lam*, J. Jiang*, S. Mukamel*,Distinguishing Amyloid Fibril Structures in Alzheimer’s Disease (AD) by Two-Dimensional Ultraviolet (2DUV) Spectroscopy,Biochemistry 50 (2011) 9809.
    151. H. Ren, J. Jiang, S. Mukamel*,Deep UV Resonance Raman Spectroscopy of β-Sheet Amyloid Fibrils; A QM/MMSimulation,J. Phys. Chem. B(2011) 115 (2011) 13955.
    152. Z.L. Ding, J. Jiang, H.Z. Xing, H.B. Shu, Y. Huang, X.S. Chen*, W. Lu*, The finite-size effect on the transport properties in edge-modified graphene nanoribbon-based molecular devices, J. Comput. Chem. 32 (2011) 1753.
    153. Z.L. Ding, J. Jiang, H.Z. Xing, H.B. Shu, R.B. Dong, X.S. Chen*, W. Lu*, Transport Properties of Graphene Nanoribbon-Based Molecular Devices, J. Comput. Chem. 32 (2011) 737.
    154. Z.L. Ding, J. Jiang, H.B. Shu, X.S. Chen*, W. Lu*, Effect of Electrode on Geometric and Transport Properties of the Graphene-based Nanomolecular Devices, J. Nanosci. Nanotechnol. 11 (2011) 10778.
    155. J. Jiang, S. Mukamel*,Two Dimensional Ultraviolet (2DUV) Spectroscopic Tools for Identifying Fibrillation Propensity of Protein Residue Sequences,Agnew Chem. Int. Ed.49 (2010) 9666.
    156. J. Jiang, D. Abramavicius, B. M. Bulheller, J. D. Hirst*, S. Mukamel*,Ultraviolet Spectroscopy of Protein Backbone Transitions in Aqueous Solution: Combined QM and MM Simulations,J. Phys. Chem. B114 (2010) 8270.
    157. J. Jiang, D. Abramavicius, C. Falvo, B. M. Bulheller, J. D. Hirst, S. Mukamel*,Simulation of Two Dimensional Ultraviolet (2DUV) Spectroscopy of Amyloid Fibrils,J. Phys. Chem. B, 114 (2010) 12150.
    158. J. Jiang*, S. Mukamel *, Two-Dimensional Near-Ultraviolet Spectroscopy of aromatic residues in Amyloid Fibrils: A First Principles Study, Phys. Chem. Chem. Phys., 13 (2010) 2394.
    159. J. Jiang, J. R. Smith, Y. Luo*, H. Grennberg*, H. Ottosson*, Multidecker Bis(benzene)chromium: Opportunities for Design of Rigid and Highly Flexible Molecular Wires: A First Principles Study, J. Phys. Chem. C 115 (2010) 785.
    160. J. Jiang*, B. Gao, Z. P. Hu, W. Lu, Z. Y. Wu, J. L. Yang, Y. Luo*, Identification of metal-cage coupling in a single metallofullerene by inelastic electron tunneling spectroscopy, Appl. Phys. Lett.96 (2010) 253110.
    161. J. Jiang*, L. Sun, B. Gao, Z. Y. Wu, W. Lu, J. L. Yang, Y. Luo*, Structural dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters, J. Appl. Phys. 108 (2010) 94303.
    162. D. Abramavicius, J. Jiang, B. M. Bulheller, J. D. Hirst*, and S. Mukamel*,Simulation study of chiral two dimensional ultraviolet (2DUV) spectroscopy of the protein backbone,J. Am. Chem. Soc.132(2010)7769.
    163. W. Hua, H. Yamane, B. Gao, J. Jiang, S. Li, H. Kato, M. Kawai, T. Hatsui, Y. Luo*, N. Kosugi, H. Agren, Systematic Study of Soft-X-Ray Spectra of Poly(Dg)-Poly(Dc) and Poly(Da)-Poly(Dt) DNA Duplexes, J. Phys. Chem. B, 114 (2010) 7016.
    164. J. Jiang, B. Gao, T.-T. Han, Y. Fu*, Ab initio study of energy band structures of GaAs nanoclusters, Appl. Phys. Lett. 94 (2009) 092110.
    165. Y. S. Ning, J. Jiang, Q. Fu, J.Z. Liu, Z.L. Shi, Y. Luo, B.Z. Tang, N. Lin*, Single Molecule’s Conductance Depending On Its Orientation,J. Phys. Chem. C, 113 (2009) 26.
    166. H. M. Zhong*, Q. Liu, J. Jiang*, G. Y. Sun, and Y. Luo, A first principles study on optical transparency mechanism in Dy doped α-SiAlONceramics, J. Appl. Phys.106 (2009)093514.
    167. B, Gao, J. Jiang, Y. Luo*, Simulation of electronic structure of nanomaterials by central insertion scheme, Front. Phys. China4 (2009)307.
    168. J. Jiang, M. Kula, Y. Luo*, Molecular Modeling of Inelastic Electron Transport in Molecular JunctionsJ. Phys.: Condens. Matt., 20 (2008) 374110.
    169. H. Cao, J. Jiang, J. Ma*, Y. Luo*, Temperature-depended Statistical Behavior of Single Molecular Conductance in Aqueous Solution,J. Am. Chem. Soc.130 (2008) 6674.
    170. H. Cao, J. Jiang, J. Ma*, Y. Luo*, Identification of Switching Mechanism in Molecular Junctions by Inelastic Electron Tunneling Spectroscopy,J. Phys. Chem. C112 (2008) 11018.
    171. B. Gao, J. Jiang, K. Liu, Z. Y. Wu*, W. Lu, Y. Luo*, An efficient first-principles approach for electronic structures calculations of nanomaterials,J. Comput. Chem.29 (2008) 434.
    172. B. Gao, J. Jiang, Z. Y. Wu*, Y. Luo*, Energy gap, electronic structure and X-ray spectroscopies of finite semiconductor single-walled carbon nanotubes,J. Chem. Phys. 128 (2008) 084707.
    173. M. Kula, J. Jiang, Y. Luo*, A Molecular View on Electron Transport in Molecular Electronic Devices,J. Computational and Theoretical Nanoscience5 (2008) 401.
    174. J. Jiang, M. Kula, Y. Luo*, A generalized quantum chemical approach for elastic and inelastic electron transport in molecular electronic devices,J. Chem. Phys.124 (2006)034708.
    175. J. Jiang, K. Liu, W. Lu*, Y. Luo*, An elongation method for first principle simulations of electronic structures and transportation properties of finite nanostructures,J. Chem. Phys.124 (2006)214711.
    176. W. Hu*, J. Jiang, H. Nakashima, Y. Luo, K. Chen, Z. Shuai*, K. Furukawa, W. Lu, Y. Liu, D. Zhu*, K. Torimitsu, Electron Transport in Self-assembled Conjugated Polymer Molecular Junctions,Phys. Rev. Lett., 96 (2006)027801.
    177. M. Kula, J. Jiang, Y. Luo*, Probing molecule-metal bonding in molecular junctions by inelastic electron tunneling spectroscopy,Nano Lett.6 (2006)1693.
    178. W.-Y. Su, J. Jiang, W. Lu*, Y. Luo*, First-Principles Study of Electrochemical Gate-Controlled Conductance in Molecular Junctions,Nano Lett.6 (2006)2091.
    179. M. Kula, J. Jiang, W. Lu*, Y. Luo*, Effects of hydrogen bonding on the current-voltage characteristics of molecular devices,J. Chem. Phys.125 (2006)194703.
    180. Y. Fu*, W. Lu*, J. Jiang, M. K. Wang, X. P. Yang, G. Wu, Y. H. Fan, Y. G. Li, Non-perturbative dynamic photon absorption of quantum wells,J. Appl. Phys.99 (2006)103104.
    181. W.-Y. Su, J. Jiang, Y. Luo*, Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths,Chem. Phys. Lett.412 (2005)406.
    182. J. Jiang, M. Kula, W. Lu*, Y. Luo*, First-Principles Simulations of Inelastic Electron Tunneling Spectroscopy of Molecular Junctions,Nano Lett.5 (2005)1551.
    183. J. Jiang, W. Lu*, Y. Luo*, Electronic structures and transportation properties of sub-60nm long single-walled carbon nanotubes,Chem. Phys. Lett.416 (2005)272.
    184. J. Jiang, W. Lu*, Y. Luo*, Length dependence of coherent electron transportationinmetal-alkanedithiol-metaland metal-alkanemonothiol-metal junctions,Chem. Phys. Lett.400 (2004)336.
    185. J. Jiang, Y. Fu, N. Li, X.S. Chen, H.L. Zhen, W. Lu*, M.K. Wang, X.P. Yang, G. Wu, Y.H. Fan, Y. G. Li*, Two-photon-absorption-induced nonlinear photoresponse in GaAs/AlGaAs quantum-well infrared photodetectors,Appl. Phys. Lett.85 (2004)3614.
    186. J. Jiang, Y. Fu*, N. Li, X. S. Chen, W. L. Xu and W Lu*, Detection wavelength of very long wavelength quantum-well infrared photodetector,J. Phys.: Condens. Matt. 15 (2003)6311.

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