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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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
H.S. Yu, J. Jiang* Accelerating catalysts design by machine learning, Science Bulletin 19 (2020) 1593-1594.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.