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2023
36) 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
35) 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
34) 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
33) 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
32) 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
31) 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
30) 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.
29) 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
28) 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
27) 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
26) 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
25) 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
24) 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
23) 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
22) 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
21) 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
20) 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
19) 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
18) 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
17) 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
16) 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
15) 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
14) 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, 3(6), 100610, DOI: 10.1016/j.checat.2023.100610
13) 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, 145(18), 10404-10410, DOI: 10.1021/jacs.3c02733 doi: 10.1021/jacs.3c02733
12) 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
11) 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, 16(7), 8987-8995, DOI: 10.1007/s12274-023-5640-z
10) 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
9) C. Li, J.-C. Chen, X.-K. Wang, M.-H. 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, 66(7), 2733-2740, DOI: 10.1007/s40843-022-2416-2
8) 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
7) 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
6) 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
5) 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
4) 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
3) 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, 5(7), 1549-1560, DOI: 10.31635/ccschem.022.202202048
2) 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
1) 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
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