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个人简介

Education 1992 Ph.D., Physical Chemistry, Chinese Academy of Sciences (China) 1988 M.Sc., Physical Chemistry, Hebei Normal University (China) 1982 B.Sc., Chemistry, Shaanxi University of Technology (China) Professional Experience 2005-present ChangJiang Professor, Department of Chemistry, Tsinghua University (China) 2010-2013 Adjunct Full Professor of Chemistry, Washington State University (USA) 2007-2010 Affiliate Full Professor of Chemistry, University of Idaho (USA) 2005-2009 Chief Scientist, Environmental Molecular Sciences Laboratory, PNNL 2004-2005 Senior Research Scientist II, Environmental Molecular Sciences Laboratory, PNNL 2001-2003 Senior Research Scientist I, Environmental Molecular Sciences Laboratory, PNNL 1997-2001 Research Scientist, The Ohio State University 1995-1997 Postdoctoral Researcher, The Ohio State University 1994-1995 Postdoctoral Fellow, University of Siegen (Germany) 1993-1994 Associate Professor, Fujian Institute, Chinese Academy of Sciences 1992-1993 Assistant Professor, Fujian Institute, Chinese Academy of Sciences Honors and Awards Chinese Chemical Society Fellow (China, 2020) Lu Jiaxi Excellent Mentor Award (China, 2019) 2nd Class Prize of National Natural Science Award (China, 2018) ellow of AAAS (American Association for the Advancement of Science, USA, 2010) Award of National Outstanding Youth Fund (China, 2005) ChangJiang Chair Professor (China, 2004) PNNL Outstanding Performance Award (2002, 2003, 2004, 2006, 2008) Sandia National Laboratory Recognition Award (2005) President of the Chinese Student and Scholar Society (Ohio State University, 1996-7) German DAAD Fellowship (1994) President Prize of the Chinese Academy of Sciences (1991)

研究领域

1) Relativistic quantum chemical studies of heavy elements (A) the electronic structures (B) multiple bonding analyses (C) excited states and luminescence properties 2) Computational catalysis and kinetics (A) Gold catalysis (B) Bimetallic catalysis (C) Supported effect in heterogeneous catalysis (D) Single atom catalysis

近期论文

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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. 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