李隽 - 清华大学

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H. Wang, P. Ding, G.-J. Xia, X. Zhao, W. E, M. Yu, Z. Ma, Y.-G. Wang, L.-S. Wang, J. Li, X. Yang, "Formation of Supernarrow Borophene Nanoribbons", Angew. Chem. Int. Ed. 2024, e202406535, DOI: 10.1002/anie.202406535 and Angew. Chem. 2024, e202406535, DOI: 10.1002/ange.202406535. S. Li, C.-W. Wang, X. Zhao, J.-S. Dang, J. Li, "Mechanistic Studies of Stimulus-Response Integrated Catalysis of Single-Atom Alloys under Electric Fields for Electrochemical Nitrogen Reduction", J. Phys. Chem. Lett. 2024, 5088-5095, DOI: 10.1021/acs.jpclett.4c00711 B. Feng, L.-W. Ye, N. Wang, H.-S. Hu, J. Li, M. Tamm, Y. Chen, "Endeavoring Cerium(IV)-Alkyl, -Aryl and -Alkynyl Complexes by an Energy-Level Match Strategy", CCS Chem. 2024, in press. S. J. Qian, H. Cao, Y. G. Wang, J. Li, "Controlling the Selectivity of Electrocatalytic NO Reduction through pH and Potential Regulation on Single-Atom Catalysts", J. Am. Chem. Soc. 2024, DOI: 10.1021/jacs.4c00827 S. H. Talib, B. Bashir, M. A. Khan, B. Ali, S. Mohamed, A. Qurashi, J. Li, "Improving the Efficiency of Water Splitting and Oxygen Reduction Via Single-Atom Anchoring on Graphyne Support", Energy Environ. Mater. 2024, e12723, DOI: 10.1002/eem2.12723 K. Harrath, Z. Yao, Y.-F. Jiang, Y.-G. Wang, J. Li, "Tailoring active-site spacing of single-atom catalyst for CH4-to-CH3OH conversion: Co1/UiO-66 MOF as an exemplary model", J. Phys. Chem. C 2024, 128(13), 5579-5589, DOI: 10.1021/acs.jpcc.4c00742 X.-R. Dong, J.-X. Zhang, T.-T. Chen, C.-Q. Xu, J. Li, "Metal-Centered Boron-Wheel Cluster of Y@B112- with Rare D11h Symmetry", Inorg. Chem. 2024, 63(14), 6276-6284, DOI: 10.1021/acs.inorgchem.3c04636 L. Xu, X.-K. Zhao, H. Cao, H.-S. Hu, J. Li, J. Chen, C. Xu, "Complexation of Hexavalent Neptunium(VI) with Oxydiacetic Acid and Its Amide Derivatives in Aqueous Solution: Spectrophotometry and DFT Calculations", Inorg. Chem. 2024, 63(14), 6173-6183, DOI: 10.1021/acs.inorgchem.3c04221 Y. Guo, X.-L. Jiang, Q.-Y. Wu, K. Liu, W. Wang, K.-Q. Hu, L. Mei, Z.-F. Chai, J. K. Gibson, J.-P. Yu, J. Li, W.-Q. Shi, "4f/5d Hybridization Induced Single-Electron Delocalization in an Azide-Bridged Dicerium Complex", J. Am. Chem. Soc. 2024, 146(10), 7088-7096, DOI: 10.1021/jacs.4c01047 Y.-Y. Zhang, H. Zheng, T. Wang, S. Jiang, W. Yan, C. Wang, Y. Zhao, J.-B. Lu, H.-S. Hu, J. Yang, W. Zhang, G. Wu, H. Xie, G. Li, L. Jiang, X. Yang, J. Li, "Spectroscopic and Theoretical Identifications of Two Structural Motifs of (H2O)10 Cluster", J. Phys. Chem. Lett. 2024, 15, 3055-3060, DOI: 10.1021/acs.jpclett.4c00210 M.-f. Li, S.-x. Yang, W.-J. Fu, X.-m. Wang, S.-m. Liu, X. Huang, J. Li, "Chlorine degradation of semi-aromatic polypiperazine-amide membranes and the mechanisms", J. Membr. Sci. 2024, 696, 122469, DOI: 10.1016/j.memsci.2024.122469 Y.-S. Ding, X.-L. Jiang, C.-Q. Xu, L. Li, J. Li, Z. Zheng, "Atomically Precise Semiconductor Clusters of Rare-Earth Tellurides", Nature Synth. 2024, DOI: 10.1038/s44160-024-00511-x Y. Wang, T. Liu, Y.-Y. Zhang, B. Li, L. Tan, C. Li, X.-C. Shen, J. Li, "Cross-catenation between position-isomeric metallacages", Nature Commun. 2024, 15(1), 1363, DOI: 10.1038/s41467-024-45681-6 H. Xiang, R. Cheng, C. Ruan, C. Meng, Y. Gan, W. Cheng, Y. Zhao, C.-Q. Xu, J. Li, C. Yao, "A homologous series of macrocyclic Ni clusters: Synthesis, structures, and catalytic properties", Nanoscale 2024, 16(9), 4563-4570, DOI: 10.1039/D3NR06015B X. Lu, Y.-Y. Zhang, W. Cheng, Y. Liu, Q. Li, X. Li, F. Dong, J. Li, X. Nie, "Chelating effect of siderophore desferrioxamine-B (DFO) on uranyl biomineralization mediated by Shewanella putrefaciens", Environ. Sci. Technol. 2024, 58(8), 3974-3984, DOI: 10.1021/acs.est.3c05753 H. Cao, X. Lv, S. Qian, J. Li, Y.-G. Wang, "Constant Potential Thermodynamic Integration for Obtaining the Free Energy Profile of Electrochemical Reaction", J. Phys. Chem. Lett. 2024, 15, 1314-1320, DOI: 10.1021/acs.jpclett.3c03318 Z. Zhang, J. Li, Y.-G. Wang, "Modeling Interfacial Dynamics on Single Atom Electrocatalysts: Explicit Solvation and Potential Dependence", Acc. Chem. Res. 2024, 57(2), 198-207, DOI: 10.1021/acs.accounts.3c00589 Y. Meng, H. Wang, J.-X. Liang, C. Zhu, J. Li, "Computational Screening of Pt1@Ti3C2T2 (T = O, S) MXene Catalysts for Water-Gas Shift Reaction", Precision Chem. 2024, 2(2), 70-80, DOI: 10.1021/prechem.3c00104 G. Xu, Y.-S. Cui, X.-L. Jiang, C.-Q. Xu, J. Li, X.-D. Chen, "Synthesis and Characterization of Iron Clusters with an Icosahedral [Fe@Fe12]16+ Core", Natl. Sci. Rev. 2024, 11(4), nwad327, DOI: 10.1093/nsr/nwad327 Q. You, X.-L. Jiang, W. Fan, Y.-S. Cui, Y. Zhao, S. Zhuang, W. Gu, L. Liao, C.-Q. Xu, J. Li, Z. Wu, "Pd8 Nanocluster with Nonmetal-to-Metall-Ring Coordination and Promising Photothermal Conversion Efficiency", Angew. Chem. Int. Ed. 2024, 63(3), e202313491, DOI: 10.1002/anie.202313491 and Angew. Chem. 2023, 136(3), e202313491, DOI: 10.1002/ange.202313491. J.-C. Liu, F. Luo, J. Li, "Electrochemical Potential-Driven Shift of Frontier Orbitals in M-N-C Single-Atom Catalysts Leading to Inverted Adsorption Energies", J. Am. Chem. Soc. 2023, 145(46), 25264-25273, DOI: 10.1021/jacs.3c08697 Z. Fei, J.-Q. Wang, R. Tang, Y. Lu, C. Han, Y. Wang, J. Hong, C. Dong, H.-S. Hu, X.-G. Xiong, C. Ning, H. Liu, J. Li, "The Unusual Quadruple Bonding of Nitrogen in ThN", Nature Commun. 2023, 14(1), 7677, DOI: 10.1038/s41467-023-43208-z Y.-R. Yao, J. Zhao, Q. Meng, H.-S. Hu, M. Guo, Y. Yan, J. Zhuang, S. Yang, S. Fortier, L. Echegoyen, W. H. Schwarz, J. Li, N. Chen, "Synthesis and Characterization of a U≡C Triple Bond in Fullerene Compounds", J. Am. Chem. Soc. 2023, 145(46), 25440-25449, DOI: 10.1021/jacs.3c10042 C.-S. Cao, J. Zhao, H.-S. Hu, W. H. E. Schwarz, J. Li, "Polyvalent s-block elements: A missing link challenges the periodic law of chemistry for the heavy elements", Proc. Natl. Acad. Sci. USA 2023, 120(43), e2303989120, DOI: 10.1073/pnas.2303989120 X. Hai, Y. Zheng, Q. Yu, N. Guo, S. Xi, X. Zhao, S. Mitchell, X. Luo, V. Tulus, M. Wang, X. Sheng, L. Ren, X. Long, J. Li, P. He, H. Lin, Y. Cui, X. Peng, J. Shi, J. Wu, C. Zhang, R. Zou, G. Guillén-Gosálbez, J. Pérez-Ramírez, M. J. Koh, Y. Zhu, J. Li, J. Lu, "Geminal-atom catalysis for cross-coupling", Nature 2023, 622(7984), 754-760, DOI: 10.1038/s41586-023-06529-z T. Xue, Y.-S. Ding, X.-L. Jiang, L. Tao, J. Li, Z. Zheng, "Tetravalent Terbium Chelates: Stability Enhancement and Property Tuning", Precision Chem. 2023, 1(10), 583-591, DOI: 10.1021/prechem.3c00065 H. Hu, Y.-Y. Zhang, H. Ma, Y. Yang, S. Mei, J. Li, J.-F. Xu, X. Zhang, "A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR-II Photothermal Conversion for E. coli-Responsive Photothermal Therapy", Angew. Chem. Int. Ed. 2023, 62(41), e202308513, DOI: 10.1002/anie.202308513 and Angew. Chem. 2023, 135(41), e202308513. DOI: 10.1002/ange.202308513. J.-N. Hu, L.-C. Tian, H. Wang, Y. Meng, J.-X. Liang, C. Zhu, J. Li, "Theoretical screening of single-atom electrocatalysts of MXene-supported 3d-metals for efficient nitrogen reduction ", Chin. J. Catal. 2023, 52, 252-262, DOI: 10.1016/S1872-2067(23)64501-2 J. Ding, H. B. Yang, X.-L. Ma, S. Liu, W. Liu, Q. Mao, Y. Huang, J. Li, T. Zhang, B. Liu, "A tin-based tandem electrocatalyst for CO2 reduction to ethanol with 80% selectivity", Nat. Energy 2023, 8(12), 1386-1394, DOI: 10.1038/s41560-023-01389-3 H. B. Yang, C.-Q. Xu, S. Baskaran, Y.-R. Lu, C. Gu, W. Liu, J. Ding, J. Zhang, Q. Wang, W. Chen, J. Li, Y. Huang, T. Zhang, B. Liu, "Identification of Non-Metal Single Atomic Phosphorus Active Sites for CO2 Reduction Reaction", EES Catal. 2023, 1(5), 774-783, DOI: 10.1039/D3EY00156C S. Zhao, Y. Tang, X. Yu, J. Li, "Superior reactivity of heterogeneous single-cluster catalysts for semi-hydrogenation of acetylene", Sci. China Mat. 2023, 66(10), 3912-3921, DOI: 10.1007/s40843-023-2558-7 G. Chen, X. Liu, J. An, S. Wang, X. Zhao, Z. Gu, C. Yuan, X. Xu, J. Bao, H.-S. Hu, J. Li, X. Wang, "Nucleation-Mediated Growth of Chiral 3D Organic‒Inorganic Perovskite Single Crystals", Nat. Chem. 2023, 15(11), 1581-1590, DOI: 10.1038/s41557-023-01290-2 Y. Jia, C.-Q. Xu, C. Cui, L. Geng, H. Zhang, Y.-Y. Zhang, S. Lin, J. Yao, Z. Luo, J. Li, "Rh19−: A High-Spin Super-Octahedron Cluster", Sci. Adv 2023, 9(33), eadi0214, DOI: 10.1126/sciadv.adi0214 X. Li, S. Mitchell, Y. Fang, J. Li, J. Perez-Ramirez, J. Lu, "Advances in Heterogeneous Single-Cluster Catalysis", Nature Rev. Chem. 2023, 7, 754–767, DOI: 10.1038/s41570-023-00540-8 Q. Wang, H. Wang, H. Cao, C.-W. Tung, W. Liu, S.-F. Hung, W. Wang, C. Zhu, Z. Zhang, W. Cai, Y. Cheng, H. B. Tao, H. M. Chen, Y.-G. Wang, Y. Li, H. B. Yang, Y. Huang, J. Li, B. Liu, "Atomic metal-nonmetal catalytic pair drives efficient hydrogen oxidation catalysis in fuel cells", Nat. Catal. 2023, 6(10), 916-926, DOI: 10.1038/s41929-023-01017-z S. H. Talib, B. Ali, S. Mohamed, X.-L. Jiang, K. Ahmad, A. Qurashi, J. Li, "Computational Screening of M1/PW12O40 Single-Atom Electrocatalysts for Water Splitting and Oxygen Reduction Reactions", J. Mater. Chem. A 2023, 11(30), 16334-16348, DOI: 10.1039/D3TA02468G C. Wang, C.-Y. Tian, Y. Zhao, S. Jiang, T. Wang, H. Zheng, W. Yan, G. Li, H. Xie, J. Li, H.-S. Hu, X. Yang, L. Jiang, "Observation of Confinement-Free Neutral Group Three Transition Metal Carbonyls Sc(CO)7 and TM(CO)8 (TM = Y, La)", Angew. Chem. Int. Ed. 2023, 62(32), e202305490, DOI: 10.1002/anie.202305490 and Angew. Chem. 2023, e202305490, DOI: 10.1002/ange.202305490 C. Yin, Y.-F. Jiang, F. Huang, C.-Q. Xu, Y. Pan, S. Gao, G.-Q. Chen, X. Ding, S.-T. Bai, Q. Lang, J. Li, X. Zhang, "A 13-million turnover-number anionic Ir-catalyst for a selective industrial route to chiral nicotine", Nature Commun. 2023, 14(1), 3718, DOI: 10.1038/s41467-023-39375-8 W.-L. Li, Y. Li, J. Li, T. Head-Gordon, "How thermal fluctuations influence the function of the FeMo cofactor in nitrogenase enzymes", Chem Catal. 2023, 3(7), 100662, DOI: 10.1016/j.checat.2023.100662 H. Cao, Q. Wang, Z. Zhang, H.-M. Yan, H. Zhao, H. B. Yang, B. Liu, J. Li, Y.-G. Wang, "Engineering Single-Atom Electrocatalysts for Enhancing Kinetics of Acidic Volmer Reaction", J. Am. Chem. Soc. 2023, 145(24), 13038-13047, DOI: 10.1021/jacs.2c13418 G. Wang, X.-L. Jiang, Y.-F. Jiang, Y.-G. Wang, J. Li, "Screened Fe3 and Ru3 single-cluster catalysts anchored on MoS2 support for selective hydrogenation of CO2", ACS Catal. 2023, 13(13), 8413-8422, DOI: 10.1021/acscatal.3c00617 B. Chen, Y.-F. Jiang, H. Xiao, J. Li, "Bimetallic Single-Cluster Catalysts Anchored on Graphdiyne for Alkaline Hydrogen Evolution Reaction", Chin. J. Catal. 2023, 50, 306-313, DOI: 10.1016/S1872-2067(23)64459-6 Y. Pan, C. Liu, N. Zhang, M. Li, M. Wang, X. Yang, H.-C. Chen, Y. Zhang, W. Hu, W. Yan, H. M. Chen, S. Liu, H. Xiao, J. Li, C. Chen, "Electron induction of atomically dispersed Fe sites by adjacent Te atoms promotes CO2 activation in electroreduction", Chem Catal. 2023, 100610, DOI: 10.1016/j.checat.2023.100610 C. Tang, X.-L. Jiang, S. Chen, W. Hong, J. Li, H. Xia, "Stereoelectronic Modulation of a Single-Molecule Junction through a Tunable Metal–Carbon dπ–pπ Hyperconjugation", J. Am. Chem. Soc. 2023, DOI: 10.1021/jacs.3c02733 doi: 10.1021/jacs.3c02733 K. Harrath, Z. Yao, Y.-F. Jiang, Y.-G. Wang, J. Li, "Activity Origin of the Nickel Cluster on TiC Support for Nonoxidative Methane Conversion", J. Phys. Chem. Lett. 2023, 14(17), 4033-4041, DOI: 10.1021/acs.jpclett.3c00375 L.-C. Tian, J.-N. Hu, Y. Meng, J.-X. Liang, C. Zhu, J. Li, "Ultrastable nickel single-atom catalysts with high activity and selectivity for electrocatalytic CO2 methanation", Nano Res. 2023, DOI: 10.1007/s12274-023-5640-z Z. Xia, Y. Yin, J. Li, H. Xiao, "Single-atom catalysis enabled by high-energy metastable structures", Chem. Sci. 2023, 14(10), 2631-2639, DOI: 10.1039/D2SC06962H C. Li, J.-C. Chen, X. Wang, M. Huang, W. Theis, J. Li, M. Gu, "Going Beyond Atom Visualization – Characterization of Supported Two-Atom Single-Cluster Catalysts with Scanning Transmission Electron Microscopy", Sci. China Mat. 2023, DOI: 10.1007/s40843-022-2416-2 T. Ban, X.-Y. Yu, H.-Z. Kang, Z.-Q. Huang, J. Li, C.-R. Chang, "Design of SA-FLP Dual Active Sites for Nonoxidative Coupling of Methane", ACS Catal. 2023, 13(2), 1299-1309, DOI: 10.1021/acscatal.2c04479 H. Zheng, Y.-Y. Zhang, T. Wang, S. Jiang, W. Yan, C. Wang, Y. Zhao, H.-S. Hu, J. Yang, W. Zhang, G. Wu, D. Dai, G. Li, J. Li, X. Yang, L. Jiang, "Spectroscopic snapshot for neutral water nonamer (H2O)9: Adding a H2O onto a hydrogen bond-unbroken edge of (H2O)8", J. Chem. Phys. 2023, 158(1), 014301, DOI: 10.1063/5.0131217 X. Li, Y. Cao, J. Xiong, J. Li, H. Xiao, X. Li, Q. Gou, J. Ge, "Enzyme‐metal‐single‐atom hybrid catalysts for one‐pot chemoenzymatic reactions", Chin. J. Catal. 2023, 44, 139-145, DOI: 10.1016/S1872‐2067(22)64179‐2 J.-B. Lu, X.-L. Jiang, H.-S. Hu, J. Li, "Norm-Conserving 4f-in-Core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides (Ln = Ce–Lu)", J. Chem. Theory Comput. 2023, 19(1), 82-96, DOI: 10.1021/acs.jctc.2c00922 Z. Zhuang, L. Xia, J. Huang, P. Zhu, Y. Li, C. Ye, M. Xia, R. Yu, Z. Lang, J. Zhu, L. Zheng, Y. Wang, T. Zhai, Y. Zhao, S. Wei, J. Li, D. Wang, Y. Li, "Continuous Modulation of Electrocatalytic Oxygen Reduction Activities of Single-atom Catalysts through p–n Junction Rectification", Angew. Chem. Int. Ed. 2023, 62(5), e202212335, DOI: 10.1002/anie.202212335 J.-S. Zhang, Y.-F. Jiang, F. Guan, S. Zhang, C.-Q. Xu, S.-T. Bai, J. Wen, J. Li, X. Zhang, "Assessing Dual Rh/Ru Cascade Catalysts in One-Pot Homogeneous Synthesis of Ethanol from Syngas and Methanol", CCS Chem. 2023, 1-12, DOI: 10.31635/ccschem.022.202202048 J.-B. Lu, X.-L. Jiang, J.-Q. Wang, H.-S. Hu, W. H. E. Schwarz, J. Li, "On the highest oxidation states of the actinoids in AnO4 molecules (An = Ac – Cm): A DMRG-CASSCF study", J. Comput. Chem. 2023, 44(3), 190-198, DOI: 10.1002/jcc.26856 J.-C. Liu, H. Xiao, X.-K. Zhao, N.-N. Zhang, Y. Liu, D.-H. Xing, X. Yu, H.-S. Hu, J. Li, "Computational Prediction of Graphdiyne-Supported Three-Atom Single-Cluster Catalysts", CCS Chem. 2023, 5(1), 152-163, DOI: 10.31635/ccschem.022.202201796 L. Li, Y.-F. Jiang, T. Zhang, H. Cai, Y. Zhou, B. Lin, X. Lin, Y. Zheng, L. Zheng, X. Wang, C.-Q. Xu, C.-t. Au, L. Jiang, J. Li, "Size sensitivity of supported Ru catalysts for ammonia synthesis: From nanoparticles to subnanometric clusters and atomic clusters", Chem 2022, 8(3), 749-768, DOI: : 10.1016/j.chempr.2021.11.008 Y.-Q. Tian, Y.-S. Cui, J.-H. Zhu, C.-Q. Xu, X.-Y. Yi, J. Li, C. Liu, "Ancillary ligand-regulated Ti(IV)-based metallocalixarene coordination cages for photocatalytic H2 evolution", Chem. Commun. 2022, 58(64), 9034-9037, DOI: 10.1039/D2CC03131K J. Zhang, X. Cao, Y.-F. Jiang, S.-F. Hung, W. Liu, H. B. Yang, C.-Q. Xu, D.-S. Li, T. Zhang, Y. Li, J. Li, B. Liu, "Surface enrichment of Ir on the IrRu alloy for efficient and stable water oxidation catalysis in acid", Chem. Sci. 2022, 13(41), 12114-12121, DOI: 10.1039/D2SC03947H J.-C. Liu, L. Luo, H. Xiao, J. Zhu, Y. He, J. Li, "Metal Affinity of Support Dictates Sintering of Gold Catalysts", J. Am. Chem. Soc. 2022, 144(45), 20601-20609, DOI: 10.1021/jacs.2c06785 X.-L. Ma, M. Li, J.-B. Lu, C.-Q. Xu, J. Li, "Recent Developments of Dinitrogen Activation on Metal Complexes and Clusters", Chin. J. Struct. Chem 2022, 41(12), 2212080-2212088, DOI: 10.14102/j.cnki.0254-5861.2022-0197 S. Qian, Y. Wang, J. Li, "Single Iron-dimer Catalysts on MoS2 Nanosheet for Potential Nitrogen Activation", Chem. Res. Chin. Univ. 2022, 38(5), 1226-1231, DOI: 10.1007/s40242-022-2273-9 M. B. Z. Hegazy, K. Harrath, D. Tetzlaff, M. Smialkowski, D. Siegmund, J. Li, R. Cao, U.-P. Apfel, "Boosting the overall electrochemical water splitting performance of pentlandites through non-metallic heteroatom incorporation", iScience 2022, 25(10), 105148, DOI: 10.1016/j.isci.2022.105148 X. Zhang, C. Cao, Y. Bai, C. Zhu, H. Zai, S. Ma, Y. Chen, Z. Cui, C. Shi, C. Wang, C. Zhou, G. Yuan, Z. Gao, J. Hong, J. Dou, H. Wang, H. Zhou, H. Xiao, J. Li, Q. Chen, "Impeded degradation of perovskite solar cells via the dual interfacial modification of siloxane", Sci. China-Chem. 2022, 65(11), 2299-2306, DOI: 10.1007/s11426-022-1381-1 S.-J. Qian, H. Cao, J.-W. Chen, J.-C. Chen, Y.-G. Wang, J. Li, "Critical Role of Explicit Inclusion of Solvent and Electrode Potential in the Electrochemical Description of Nitrogen Reduction", ACS Catal. 2022, 12(18), 11530-11540, DOI: 10.1021/acscatal.2c03186 C. Cao, J. Hu, W. Zhang, X. Xu, D. Chen, F. Yu, J. Li, H.-S. Hu, D. Lv, M.-H. Yung, "Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry", Phys. Rev. A. 2022, 105(6), 062452, DOI: 10.1103/PhysRevA.105.062452 X. Lu, Y. Zhang, W. Cheng, Y. Liu, X. Wu, X. Li, F. Dong, J. Li, X. Nie, "Experimental and computational study on the inhibitory effect of phytic acid on U(VI) biomineralization by Shewanella putrefaciens", Chem. Eng. J. 2022, 450, 138364, DOI: 10.1016/j.cej.2022.138364 Z.-L. Wang, T.-T. Chen, W.-J. Chen, W.-L. Li, J. Zhao, X.-L. Jiang, J. Li, L.-S. Wang, H.-S. Hu, "The smallest 4f-metalla-aromatic molecule of cyclo-PrB2– with Pr–B multiple bonds", Chem. Sci. 2022, 13(34), 10082-10094, DOI: 10.1039/D2SC02852B Y.-S. Cui, J.-X. Zhang, C.-Q. Xu, X.-L. Jiang, J. Li, "Bonding Nature of “Ionic Carbenes” in [M3(μ3-CH2)]-Containing Compounds: the Covalent Interaction", Inorg. Chem. 2022, 61(31), 12349-12355, DOI: 10.1021/acs.inorgchem.2c01726 J. Zhao, C.-X. Chi, L.-Y. Meng, X.-L. Jiang, J. Grunenberg, H.-S. Hu, M.-F. Zhou, J. Li, W. H. E. Schwarz, "Cis- and Trans-Binding Influences in [NUO·(N2)n]+", J. Chem. Phys. 2022, 157(5), 054301, DOI: 10.1063/5.0098068 H. Xiang, H. Yan, J. Liu, R. Cheng, C.-Q. Xu, J. Li, C. Yao, "Identifying the Real Chemistry of the Synthesis and Reversible Transformation of AuCd Bimetallic Clusters", J. Am. Chem. Soc. 2022, 144(31), 14248-14257, DOI: 10.1021/jacs.2c05053 Y.-F. Jiang, J.-C. Liu, C.-Q. Xu, J. Li, H. Xiao, "Breaking the scaling relations for efficient N2-to-NH3 conversion by a bowl active site design: Insight from LaRuSi and isostructural electrides", Chin. J. Catal. 2022, 43(8), 2183-2192, DOI: 10.1016/S1872-2067(22)64129-9 J.-C. Jiang, J.-C. Chen, M.-d. Zhao, Q. Yu, Y.-G. Wang, J. Li, "Rational design of copper-based single-atom alloy catalysts for electrochemical CO2 reduction", Nano Res. 2022, 15(8), 7116-7123, DOI: 10.1007/s12274-022-4476-2 W. Cai, Y.-F. Jiang, J. Zhang, H. Yang, J. Zhang, C.-Q. Xu, W. Liu, J. Li, B. Liu, "Ruthenium/titanium oxide interface promoted electrochemical nitrogen reduction reaction", Chem Catal. 2022, 2(7), 1764-1774, DOI: 10.1016/j.checat.2022.05.009 W.-J. Fu, W.-L. Li, Y.-X. Zhang, J.-X. Zhang, J. Li, "Quantum Chemical Studies of the Electronic Structures of Anti-Tumor Agents: AuIIIL+ (L=Porphine, Tetraphenylporphyrin)", Comp. Theore. Chem. 2022, 1211, 113685, DOI: 10.1016/j.comptc.2022.113685 X.-K. Zhao, C.-S. Cao, J.-C. Liu, J.-B. Lu, J. Li, H.-S. Hu , “Theoretical Prediction of Graphene-like 2D Uranyl Material with p-Orbital Antiferromagnetism”, Chem. Sci. 2022, 13, DOI: 10.1039/D2SC02017C X. Wang, Z. Han, W. Wei, H.-S. Hu, P. Li, P. Sun, X. Liu, Z. Lv, F. Wang, Y. Cao, Z. Guo, J. Li, J. Zhao, “An Unexpected All-Metal Aromatic Tetranuclear Silver Cluster in Human Copper Chaperone Atox1”, Chem. Sci. 2022, 13(24), 7269-7275, DOI: 10.1039/D1SC07122J Z. Huang, J.-X. Liang, D. Tang, Y. Chen, W. Qu, X. Hu, J. Chen, Y. Dong, D. Xu, D. Golberg, J. Li, X. Tang, "Interplay between remote single-atom active sites triggers speedy catalytic oxidation", Chem 2022, 8(11), 3008-3017, DOI: 10.1016/j.chempr.2022.07.002 Y.-Q. Tian, Y.-S. Cui, W.-D. Yu, C.-Q. Xu, X.-Y. Yi, J. Yan, J. Li, C. Liu, "An Ultrastable Ti-Based Metallocalixarene Nanocage Cluster with Photocatalytic Amine Oxidation Activity", Chem. Commun. 2022, 58(40), 6028-6031, DOI: 10.1039/D2CC01740G Y. Guo, X. Yu, Q. Yu, Y. Li, Y. Liu, C. Zhao, L. Jin, Z. Liu, J. Li, "Exploring Stability of Transition-Metal Single Atoms on Cu2O Surfaces", J. Phys. Chem. C 2022, 126(18), 8065-8078, DOI: 10.1021/acs.jpcc.2c00751 S. H. Talib, Z. Lu, B. Bashir, S. Hussain, K. Ahmad, S. U. D. Khan, S. Haider, Z. Yang, K. Hermansson, J. Li, “CO Oxidation on MXene (Mo2CS2) Supported Single-Atom Catalyst: A Termolecular Eley-Rideal Mechanism”, Chin. Chem. Lett. 2022, 33, DOI: 10.1016/j.cclet.2022.04.010 Z. Wang, J.-B. Lu, X. Dong, Q. Yan, X. Feng, H.-S. Hu, S. Wang, J. Chen, J. Li, C. Xu, “Ultra-Efficient Americium/Lanthanide Separation through Oxidation State Control”, J. Am. Chem. Soc. 2022, 144(14), 6383-6389, DOI: 10.1021/jacs.2c00594 M. J. Huelsey, S. Baskaran, S. Ding, S. Wang, H. Asakura, S. Furukawa, S. Xi, Q. Yu, C.-Q. Xu, J. Li, N. Yan, "Identifying Key Descriptors for the Single-Atom Catalyzed CO Oxidation", CCS Chem. 2022, 4, DOI: 10.31635/ccschem.022.202201914 C. Zhu, J.-X. Liang, Y.-G. Wang, J. Li, "Non-Noble Metal Single-Atom Catalyst with MXene Support: Fe1/Ti2CO2 for CO Oxidation", Chin. J. Catal. 2022, 43(7), 1830-1841, DOI: 10.1016/S1872‐2067(21)64027‐5 J. Jiao, N.-N. Zhang, C. Zhang, N. Sun, Y. Pan, C. Chen, J. Li, M. Tan, R. Cui, Z. Shi, J. Zhang, H. Xiao, T. Lu, “Doping Ruthenium into Metal Matrix for Promoted pH-Universal Hydrogen Evolution”, Adv. Sci. 2022, 9(11), 2200010, DOI: 10.1002/advs.202200010 Z. Lin, M. E.-Escribano, J. Li, “Recent Progress and Perspectives on Single-Atom Catalysis”, J. Mater. Chem. A 2022, 10(11), 5670-5672, DOI: 10.1039/d2ta90050e K. Wussow, A. Abram, K. K?hler, C.-R. Chang, A. Genest, J. Li, N. R?sch, "Leaching of Palladium Atoms from Small Cluster Models during Heck Reactions-An Experimental and Theoretical Study", Catal. Commun. 2022, 165, 106441, DOI: 10.1016/j.catcom.2022.106441 G. D. Suarez, D. A. Suarez, Y. Y. K. Tang, J.-X. Zhang, J. Li, S. Nagl, P. P.-H. Cheung, "Uncovering Mechanisms of RT-LAMP Colorimetric SARS-CoV-2 Detection to Improve Assay Reliability", Anal. Methods 2022, 14(4), 378-382, DOI: 10.1039/D1AY01395E W.-J. Chen, Y.-Y. Zhang, W.-L. Li, H. W. Choi, J. Li, L.-S. Wang, "AuB8-: An Au-Borozene Complex", Chem. Commun. 2022, 58(19), 3134-3137, DOI: 10.1039/D1CC07303F Y. Zhou, C.-Q. Xu, Z. Tan, H. Cai, X. Wang, J. Li, L. Zheng, C.-t. Au, J. Li, L. Jiang, “Integrating Dissociative and Associative Routes for Efficient Ammonia Synthesis over a TiCN-Promoted Ru-Based Catalyst”, ACS Catal. 2022, 12(4), 2651-2660, DOI: 10.1021/acscatal.1c05613 X.-L. Ma, Y. Yang, L.-M. Xu, H. Xiao, W.-Z. Yao, J. Li, "Theoretical Investigation on Hydrogenation of Dinitrogen Triggered by Singly Dispersed Bimetallic Sites", J. Mater. Chem. A 2022, 10(11), 6146-6152, DOI: 10.1039/D1TA08350C Y. Meng, J.-X. Liang, C. Zhu, C.-Q. Xu, J. Li, "Theoretical Studies of MXene-Supported Single-Atom Catalysts: Os1/Ti2CS2 for Low-Temperature CO Oxidation", Sci. China Mat. 2022, 65(5), 1303-1312, DOI: 10.1007/s40843-021-1950-0 Y.-Y. Zhang, C. Wang, G. Li, X. Zang, Y. Yu, H.-S. Hu, J. Yang, W. Zhang, D. Dai, G. Wu, L. Jiang, X. Yang, J. Li, "Infrared Spectroscopic Signature of the Structural Diversity of the Water Heptamer", Cell Rep. Phys. Sci. 2022, 3(2), 100748, DOI: 10.1016/j.xcrp.2022.100748 S. H. Talib, X. Yu, Z. Lu, K. Ahmad, T. Yang, H. Xiao, J. Li, "A Polyoxometalate Cluster-Based Single-Atom Catalyst for NH3 Synthesis via an Enzymatic Mechanism", J. Mater. Chem. A 2022, 10(11), 6165-6177, DOI: 10.1039/D1TA07903D Y. Deng, Y. Guo, Z. Jia, J.-C. Liu, J. Guo, X. Cai, C. Dong, M. Wang, C. Li, , J. Diao, Z. Jiang, J. Xie, N. Wang, H. Xiao, B. Xu, H. Zhang, H. Liu,J. Li, D. Ma, "Few-Atom Pt Ensembles Enable Efficient Catalytic Cyclohexane Dehydrogenation for Hydrogen Production", J. Am. Chem. Soc. 2022, 144(8), 3535-3542, DOI: 10.1021/jacs.1c12261 Z.-Q. Huang, Y.-T. Chen, C.-R. Chang, J. Li, "Theoretical Insights into Dual-Metal-Site Catalysts for the Nonoxidative Coupling of Methane", ACS Catal. 2021, 11(21), 13149–13159, DOI: 10.1021/acscatal.1c02597 E. C. H. Sykes, P. Christopher, J. Li, "Fundamental Insights into Heterogeneous Single-Atom Catalysis", J. Chem. Phys. 2021, 155(21), 210401, DOI: 10.1063/5.0073628 N. Liu, X.-L. Ma, J. Li, H. Xiao, "Singly Dispersed Bimetallic Sites as Stable and Efficient Single-Cluster Catalysts for Activating N2 and CO2", J. Phys. Chem. C 2021, 125(49)27192–27198, DOI: 10.1021/acs.jpcc.1c07706 W.-L. Li, T.-T. Chen, W.-J. Chen, J. Li, L.-S. Wang, “Monovalent Lanthanide(I) in Borozene Complexes”, Nature Commun. 2021, 12, 6467, DOI: 10.1038/s41467-021-26785-9 X. Hai, S. Xi, S. Mitchell, K. Harrath, H. Xu, D. F. Akl, D. Kong, J. Li, Z. Li, T. Sun, H. Yang, Y. Cui, C. Su, X. Zhao, J. Li, J. P.-Ramírez, J. Lu, “Scalable Two-Step Annealing Method for Preparing Ultra-High-Density Single-Atom Catalyst Libraries”, Nature Nanotech. 2021, 13, 2889, DOI: 10.1038/s41565-021-01022-y J. Li, Y.-F. Jiang, Q. Wang, C.-Q. Xu, D. Wu, M. N. Banis, K. R. Adair, K. D.-Davis, D. M. Meira, Y. Z. Finfrock, W. Li, L. Zhang, T.-K. Sham, R. Li, N. Chen, M. Gu, J. Li, X. Sun, “A General Strategy for Preparing Pyrrolic-N4 Type Single-Atom Catalysts via Pre-located Isolated Atoms”, Nature Commun. 2021, 12, 6806, DOI: 10.1038/s41467-021-27143-5 Q. Wang, Z. Zhang, C. Cai, M. Wang, Z. L. Zhao, M. Li, X. Huang, S. Han, H. Zhou, Z. Feng, L. Li, J. Li, H. Xu, J. S. Francisco, M. Gu,"Single Iridium Atom Doped Ni2P Catalyst for Optimal Oxygen Evolution", J. Am. Chem. Soc. 2021, 143(34), 13605–13615, DOI: 10.1021/jacs.1c04682 Y. Guo, R.-Y. Wang, J.-X. Kang, Y.-N. Ma, C.-Q. Xu, J. Li, X. Chen, “Highly Efficient Synthesis of Primary and Secondary Amides via Reacting Esters with Alkali Metal Amidoboranes”, Nature Commun. 2021, 12, 5964, DOI: 10.1038/s41467-021-25836-5 J.-C. Chen, H. Cao, J.-W. Chen, S.-J. Qian, G.-J. Xia, Y.-G. Wang, J. Li, "Heterogeneous Two-Atom Single-Cluster Catalysts for Nitrogen Electroreduction Reaction", J. Phys. Chem. C 2021, 125(36), 19821–19830, DOI: 10.1021/acs.jpcc.1c06339 S.-F. Yuan, C.-Q. Xu, W.-D. Liu, J.-X. Zhang, J. Li, Q.-M. Wang, "Rod-Shaped Silver Supercluster Unveiling Strong Electron Coupling between Substituent Icosahedral Units", J. Am. Chem. Soc. 2021, 143(31), 12261–12267, DOI: 10.1021/jacs.1c05283 S. H. Talib, Z. Lu, X. Yu, K. Ahmad, B. Bashir, Z. Yang, J. Li, "Theoretical Inspection of M1/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER)", ACS Catal. 2021, 11(14), 8929–8941, DOI: 10.1021/acscatal.1c01294 W. Fu, G.-J. Xia, Y. Zhang, J. Hu, Y.-G. Wang, J. Li, X. Li, B. Li, "Using General Computational Chemistry Strategy to Unravel the Reactivity of Emerging Pollutants: An Example of Sulfonamide Chlorination", Water Res. 2021, 202, 117391, DOI: 10.1016/j.watres.2021.117391 X. Li, Y. Zeng, C.-W. Tung, Y.-R. Lu, S. Baskaran, S.-F. Hung, S. Wang, C.-Q. Xu, J. Wang, T.-S. Chan, H. M. Chen, J. Jiang, Q. Yu, Y. Huang, J. Li, T. Zhang, B. Liu, “Unveiling the In-Situ Generation of Monovalent Fe(I) Site in Single-Fe-Atom Catalyst for Electrochemical CO2 Reduction”, ACS Catal. 2021, 11(12), 7292-7301, DOI: 10.1021/acscatal.1c01621 X.-L. Jiang, C.-Q. Xu, J.-B. Lu, C.-S. Cao, H. Schmidbaur, W. H. E. Schwarz, J. Li, “Electronic Structure and Spectroscopic Properties of Group-7 Tri-Oxo-Halides MO3X (M = Mn-Bh, X = F-Ts)”, Inorg. Chem. 2021, 60(13), 9504–9515, DOI: 10.1021/acs.inorgchem.1c00626 T. Huang, L. Zhao, X. Jiang, W. Yu, B. Xu, X. Wang, W. H. E. Schwarz, J. Li, “Metal Oxo-Fluoride Molecules OnMF2 (M = Mn, Fe; n = 1 - 4) and O2MnF: Matrix Infrared Spectra and Quantum Chemistry”, Inorg. Chem. 2021, 60(11), 7687-7696, DOI:10.1021/acs.inorgchem.0c03806 M. Kulichenko, W.-J. Chen, Y.-Y. Zhang, C.-Q. Xu, J. Li, L.-S. Wang, “Double σ-Aromaticity in a Planar Zn-Doped Gold Cluster: Au9Zn–”, J. Phys. Chem. A 2021, 125(21), 4606-4613, DOI:10.1021/acs.jpca.1c02954 J.-B. Lu, D. C. Cantu, C.-Q. Xu, M.-T. Nguyen, H.-S. Hu, V.-A. Glezakou, R. Rousseau, J. Li, “Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments”, J. Chem. Theory Comput. 2021, 17(6), 3360-3371, DOI:10.1021/acs.jctc.1c00026 X. Peng, H.-X. Liu, Y. Zhang, Z.-Q. Huang, L. Yang, Y. Jiang, X. Wang, L. Zheng, C. Chang, C.-T. Au, L. Jiang, J. Li, “Highly Efficient Ammonia Synthesis at Low Temperature Over a Ru–Co Catalyst with Dual Atomically Dispersed Active Centers”, Chem. Sci. 2021, 12(20), 7125, DOI: 10.1039/d1sc00304f S.-Y. He, T.-H. Li, Z.-Q. Huang, Y. Liu, J. Li, C.-R. Chang, ”Screening Silica-Confined Single-Atom Catalysts for Nonoxidative Conversion of Methane”, J. Chem. Phys. 2021, 154, 174706, DOI: 10.1063/5.0048962 R.-Y. Wang, J.-X. Zhang, X.-L. Jiang, N. Ma, X. Chen, C.-Q. Xu, J. Li, "Understanding the Electronic Structure and Stability of BnXn0/2- (n = 4, 6; X = H, F, Cl, Br, I, At, Ts) Clusters", Chin. J. Chem. 2021, 39, 1811-1818, DOI: 10.1002/cjoc.202100072 Y.-J. Chen, H.-Y. Zhuo, Y. Pan, J.-X. Liang, C.-G. Liu, J. Li, "Triazine COF-Supported Single-Atom Catalyst (Pd1/trzn-COF) for CO Oxidation", Sci. China Mat. 2021, 64(8), 1939-1951, DOI: 10.1007/s40843-021-1662-8 Z.-Y. Jiang, T.-T. Chen, W.-J. Chen, W.-L. Li, J. Li, L.-S. Wang, "Expanded Inverse-Sandwich Complexes of Lanthanum Borides: La2B10– and La2B11–", J. Phys. Chem. A 2021, 125(12), 2622-2630, DOI: 10.1021/acs.jpca.1c01149 J. Xu, R. Li, C.-Q. Xu, R. Zeng, Z. Jiang, B. Mei, J. Li, D. Meng, J. Chen, "Underpotential-Deposition Synthesis and In-Line Electrochemical Analysis of Single-Atom Copper Electrocatalysts", Appl. Catal. B: Environ. 2021, 289, 120028, DOI: 10.1016/j.apcatb.2021.120028 G. Meng, K. Ji, W. Zhang, Y. Kang, Y. Wang, P. Zhang, Y.-G. Wang, J. Li, T. Cui, X. Sun, T. Tan, D. Wang, Y. Li, "Tandem catalyzing the hydrodeoxygenation of 5-hydroxymethylfurfural over a Ni3Fe intermetallic supported Pt single-atom site catalyst", Chem. Sci. 2021, 12(11), 4139-4146, DOI: 10.1039/D0SC05983H R. C. Shiery, J. L. Fulton, M. Balasubramanian, M.-T. Nguyen, J.-B. Lu, J. Li, R. Rousseau, V.-A. Glezakou, D. C. Cantu, "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy", Inorg. Chem. 2021, 60(5), 3117-3130, DOI: 10.1021/acs.inorgchem.0c03438 G. Wang, J. Zhao, H.-S. Hu, J. Li, M. Zhou, "Formation and Characterization of BeFe(CO)4? Anion with Beryllium?Iron Bonding", Angew. Chem. Int. Ed. 2021, 60(17), 9334-9338, DOI: 10.1002/anie.202015760 and Angew. Chem. 2021, 133(17), 9420-9424, DOI: 10.1002/anie.202015760 S. Baskaran, C.-Q. Xu, Y.-F. Jiang, Y.-G. Wang, J. Li, "Phosphorene Supported Single-Atom Catalysts for CO Oxidation: A Computational Study", ChemPhysChem 2021, 22(4), 378-385, DOI: 10.1002/cphc.202000950 C. Cao, R. E. Vernon, W. H. E. Schwarz, J. Li, "Understanding Periodic and Non-Periodic Chemistry in Periodic Tables", Front. Chem. 2021, 8, 813, DOI: 10.3389/fchem.2020.00813 L. Geng, M. Weng, C.-Q. Xu, H. Zhang, C. Cui, H. Wu, X. Chen, M. Hu, H. Lin, Z.-D. Sun, X. Wang, H.-S. Hu, J. Li, J. Zheng, Z. Luo, F. Pan, J. Yao, “Co13O8 — Metalloxocubes: A New Class of Perovskite-Like Neutral Clusters with Cubic Aromaticity”, Natl. Sci. Rev. 2021, 8(1), nwaa201, DOI: 10.1093/nsr/nwaa201 S. H. Talib, S. Baskaran, X. Yu, Q. Yu, B. Bashir, S. Muhammad, S. Hussain, X. Chen, J. Li, “Non-Noble Metal Single-Atom Catalyst of Co1/MXene (Mo2CS2) for CO Oxidation“, Sci. China Mat. 2021, 64(3), 651-663, DOI: 10.1007/s40843-020-1458-5 Y. Liu, Z. Duan, J. Li, C. Chang, "Gas-Phase Mechanism Study of Methane Nonoxidative Conversion by Reaxff Method", Acta Phys. -Chim. Sin. 2021, 37(11), 2011012, DOI: 10.3866/pku.Whxb202011012 Y. Xiao, X.-K. Zhao, T. Wu, J. T. Miller, H.-S. Hu, J. Li, W. Huang, P. L. Diaconescu, "Distinct Electronic Structures and Bonding Interactions in Inverse-Sandwich Samarium and Ytterbium Biphenyl Complexes", Chem. Sci. 2021, 12(1), 227-238, DOI: 10.1039/d0sc03555f

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