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2018

43) Q. Li, W. Chen, H. Xiao, Y. Gong, Z. Li, L. Zheng, X. Zheng, W. Yan, W.‐C. Cheong, R. Shen, N. Fu, L. Gu, Z. Zhuang, C. Chen, D. Wang, Q. Peng, J. Li, Y. Li, "Fe Isolated Single Atoms on S, N Codoped Carbon by Copolymer Pyrolysis Strategy for Highly Efficient Oxygen Reduction Reaction", Adv. Mater. 2018, 30(25), 1800588, DOI: 10.1002/adma.201800588

42) J. Yu, B. Zhang, Y. Zhang, C.-Q. Xu, W. Zhuo, J. Ge, J. Li, N. Gao, Y. Li, M. Yang, "A Binding-Block Ion Selective Mechanism Revealed by a Na/K Selective Channel", Protein Cell 2018, 9(7), 629-639, DOI: 10.1007/s13238-017-0465-8

41) X. Wang, H. Xiao, A. Li, Z. Li, S. Liu, Q. Zhang, Y. Gong, L. Zheng, Y. Zhu, C. Chen, D. Wang, Q. Peng, L. Gu, X. Han, J. Li, Y. Li, “Constructing NiCo/Fe3O4 Heteroparticles within MOF-74 for Efficient Oxygen Evolution Reactions”, J. Am. Chem. Soc. 2018, 140 (45), 15336–15341, DOI: 10.1021/jacs.8b08744

40) G. Xiang, Y. Tang, Z. Liu, W. Zhu, H. Liu, J. Wang, G. Zhong, J. Li, X. Wang, “Probing Ligand-Induced Cooperative Orbital Redistribution That Dominates Nanoscale Molecule-Surface Interactions with One-Unit-Thin TiO2 Nanosheets”, Nano Lett. 2018, 18(12), 7809-7815, DOI: 10.1021/acs.nanolett.8b03572

39) Y.-F. Jiang, X.-L. Ma, J.-B. Lu, J.-Q. Wang, H. Xiao, J. Li, “N2 Reduction on Fe-Based Complexes with Different Supporting Main-Group Elements: Critical Roles of Anchor and Peripheral Ligand”, Small Methods 2018, 1800340, DOI: 10.1002/smtd.201800340

38) W.-L. Li, C. Ertural, D. Bogdanovski, J. Li, R. Dronskowski, “Chemical Bonding of Crystalline LnB6 (Ln=La−Lu) and Its Relationship with Ln2B8 Gas-Phase Complexes”, Inorg. Chem. 2018, 57(20), 12999-13008, DOI: 10.1021/acs.inorgchem.8b02263

37) C. Liu, L.-J. Li, I. A. Popov, R. J. Wilson, C.-Q. Xu, J. Li, A. I. Boldyrev, Z.-M. Sun, “Symmetry Reduction upon Size Mismatch: The Non-Icosahedral Intermetalloid Cluster [Co@Ge12]3− ", Chin. J. Chem. 2018, 36(12), 1165-1168, DOI: 10.1002/cjoc.201800434

36) G.-Q. Ren, Y. Tang, K.-P. Liu, Y. Su, S. Miao, W. Liu, W.-M. Cong, X.-D. Wang, W.-Z. Li, J. Li, T. Zhang, "Exceptional Antisintering Gold Nanocatalyst for Diesel Exhaust Oxidation", Nano Lett. 2018, 18(10), 6489-6493, DOI: 10.1021/acs.nanolett.8b03003

35) J.-C. Liu, Y. Tang, Y.-G. Wang, T. Zhang, J. Li, "Theoretical Understanding of the Stability of Single-Atom Catalysts", Natl. Sci. Rev. 2018, 5(5), 638-641, DOI:10.1093/nsr/nwy094

34) M. Hu, S. Zhao, S. Liu, C. Chen, W. Chen, W. Zhu, C. Liang, W.-C. Cheong, Y. Wang, Y. Yu, Q. Peng, K. Zhou, J. Li, Y. Li, “MOF-Confined Sub-2 nm Atomically Ordered Intermetallic PdZn Nanoparticles as High-Performance Catalysts for Selective Hydrogenation of Acetylene”, Adv. Mater. 2018, 30, 1801878, DOI: 10.1002/adma.201801878

33) J.-B. Liu, X. Chen, J.-B. Lu, H.-Q. Cui,  J. Li, “Polarizable Force Field Parameterization and Theoretical Simulations of ThCl4-LiCl Molten Salts”, J. Comp. Chem. 2018, 39(29), 2432-2438, DOI: 10.1002/jcc.25558

32) Y. He, J.-C. Liu, L. Luo, Y.-G. Wang, J. Zhu, Y. Du, J. Li, S. X. Mao,  C. Wang, “Size-Dependent Dynamic Structures of Supported Gold Nanoparticles in CO Oxidation Reaction Condition”, Proc. Natl. Acad. Sci. USA 2018, 115(30), 7700-7705, DOI: 10.1073/pnas.1800262115

31) W.-L. Li, T.-T. Chen, D.-H. Xing, X. Chen, J. Li, L.-S. Wang, “Observation of Highly Stable and Symmetric Lanthanide Octa-Boron Inverse Sandwich Complexes”, Proc. Natl. Acad. Sci. USA 2018, 115(30), E6972-E6977, DOI: 10.1073/pnas.1806476115

30) Y. Wang, J. Li, "计算化学实验课程建设", 大学化学》 2018, 33(10), 25-32, DOI: 10.3866/PKU.DXHX201805020

29) X. Zhang, W. Li, L. Feng, X. Chen, A. Hansen, S. Grimme, S. Fortier, D.-C. Sergentu, T. J. Duignan, J. Autschbach, S. Wang, Y. Wang, G. Velkos, A. A. Popov, N. Aghdassi, S. Duhm, X. Li, J. Li, L. Echegoyen, W.H.E. Schwarz, N. Chen, “A Diuranium Carbide Cluster Stabilized inside a C80 Fullerene Cage”, Nature Commun. 2018, 9, 2753, DOI: 10.1038/s41467-018-05210-8

28) X. Chen, M. S. Jørgensen, J. Li, B. Hammer, "Atomic Energies from a Convolutional Neural Network", J. Chem. Theory Comput. 2018, 14(7), 3933-3942, DOI: 10.1021/acs.jctc.8b00149

27) S. Wei, A. Li , J.-C. Liu , Z. Li , W. Chen , Y. Gong , Q. Zhang , W.-C. Cheong , Y. Wang , L. Zheng , H. Xiao , C. Chen , D. Wang , Q. Peng , L. Gu , X. Han , J. Li, Y. Li, "Direct Observation of Noble Metal Nanoparticles Transforming to Thermal Stable Single Atoms", Nature Nanotech. 2018, 13, 856-861, DOI: 10.1038/s41565-018-0197-9

26) W. Wang, C.-Q. Xu, Y. Fang, Y. Zhao, J. Li, X. Wang, “An Isolable Diphosphene Radical Cation Stablized by Three-Center Three-Election π-Bonding with Chromium: End-on versus Side-on Coordination”, Angew. Chem. Int. Ed. 2018, 57(30), 9419-9424, DOI: 10.1002/anie.201805115 and Angew. Chem. 2018, 130(30), 9563-9568, DOI:10.1002/ange.201805115

25) B. Tang, W.-L. Li, Y. Jiao, J.-B. Lu, J.-F. Xu, Z. Wang, J. Li, X. Zhang, "A Supramolecular Radical Cation: Folding-Enhanced Electrostatic Effect for Promoting Radical-Mediated Oxidation", Chem. Sci. 2018, 9(22), 5015-5020, DOI: 10.1039/c8sc01434e

24) A. Wang, J. Li, T. Zhang, “Heterogeneous Single-Atom Catalysis”, Nature Rev. Chem. 2018, 2, 65-81, DOI: 10.1038/s41570-018-0010-1

23) Y. Dong, Y. Mu, Y. Xie, Y. Zhang, Y. Han, Y. Zhou, W. Wang, Z. Liu, M. Wu, H. Wang, M. Pan, N. Xu, C.-Q. Xu, M. Yang, S. Fan, H. Deng, T. Tan, X. Liu, L. liu, J. Li, J. Wang, X. Fang, Y. Feng, "Structural Basis of Ubiquitin Modification by the Legionella Effector SdeA", Nature 2018, 557, 674-678, DOI:10.1038/s41586-018-0146-7

22) K. Ahmad, C.-R. Chang, J. Li, "Mechanistic Investigations of Co(II)-Catalyzed C-N Coupling Reactions", J. Organomet. Chem. 2018, 868, 144-153, DOI: 10.1016/j.jorganchem.2018.05.013

21) W. Liu, Y. Chen, H. Qi, L. Zhang, W. Yan, X. Liu, X. Yang, S. Miao, W. Wang, C. Liu, A. Wang, J. Li, T. Zhang, “A Durable Nickel Single-Atom Catalyst for Hydrogenation Reactions and Cellulose Valorization under Harsh Conditions”, Angew. Chem. Int. Ed. 2018, 57(24), 7071-7075, DOI: 10.1002/anie.201802231 and Angew. Chem. 2018, 130(24), 7189-7193, DOI: 10.1002/ange.201802231

20) G. Ou, Y. Xu, B. Wen, R. Lin, B. Ge, Y. Tang, Y. Liang, C. Yang, K. Huang, D. Zu, R. Yu, W. Chen, J. Li, H. Wu, L.-M. Liu, Y. Li, "Tuning Defects in Oxides at Room Temperature by Lithium Reduction", Nature Commun. 2018, 9, 1302, DOI: 10.1038/s41467-018-03765-0

19) W.-L. Li, J.-B. Lu, Z.-L. Wang, H.-S. Hu, J. Li, "Relativity−Induced Bonding Pattern Change in Coinage Metal Dimers M2 (M = Cu, Ag, Au, Rg)", Inorg. Chem. 2018, 57(9), 5499-5506, DOI: 10.1021/acs.inorgchem.8b00438

18) J.-C. Liu, X.-L. Ma, Y. Li, Y.-G. Wang, H. Xiao, J. Li, "Heterogeneous Fe3 Single-Cluster Catalyst for Ammonia Synthesis via An Associative Mechanism", Nature Commun. 2018, 9, 1610, DOI: 10.1038/s41467-018-03795-8

17) T. Li, F. Liu, Y. Tang, L. Li, S. Miao, Y. Su, J. Zhang, J. Huang, H. Sun, M. Haruta, A. Wang, B. Qiao, J. Li, T. Zhang, "Maximizing the Number of Interfacial Sites in Single-Atom Catalyst for the Highly Selective, Solvent-Free Oxidation of Primary Alcohol", Angew. Chem. Int. Ed. 2018, 57(26), 7795-7799, DOI: 10.1002/anie.201803272 and Angew. Chem. 2018, 130(26), 7921-7925, DOI: 10.1002/ange.201803272

16) Y. Yi, B. Adrjan, J. Wlodarz, J. Li, K. Jackowski, S. Roszak, "NMR Measurements and DFT Studies of Nuclear Magnetic Shielding in Emodin and Chuanxiongzine Molecules", J. Mol. Struct. 2018, 1166, 304-310, DOI: 10.1016/j.molstruc.2018.04.053

15) Y. Wang, H. Zhuo, X. Zhang, X. Dai, K. Yu, C. Luan, L. Yu, Y. Xiao, J. Li, M. Wang, F. Gao, "Synergistic Effect between Undercoordinated Platinum Atoms and Defective Nickel Hydroxide on Enhanced Hydrogen Evolution Reaction in Alkaline Solution", Nano Energy 2018, 48, 590-599, DOI: 10.1016/j.nanoen.2018.03.080

14) J.-B. Lu, X.-L. Ma, J.-Q. Wang, J.-C. Liu, H. Xiao, J. Li, "Efficient Nitrogen Fixation via a Redox-Flexible Single-Fe-Site With Reverse-Dative Fe→B σ Bonding", J. Phys. Chem. A 2018, 122(18), 4530-4537, DOI: 10.1021/acs.jpca.8b02089

13) J. Jian, S.-X. Hu, W.-L. Li, M. J. v. Stipdonk, J. Martens, G. Berden, J. Oomens, J. Li, J. K. Gibson, "Uranyl/12-crown-4 Ether Complexes and Derivatives: Structural Characterization and Isomeric Differentiation", Inorg. Chem. 2018, 57(7), 4125-4134, DOI: 10.1021/acs.inorgchem.8b00306

12) Q. T. Tran, S.-J. Lu, L.-J. Zhao, X.-L. Xu, H.-G. Xu, V. T. Tran, J. Li, W.-J. Zheng, "Spin-Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and Ab Initio Calculations", J. Phys. Chem. A 2018, 122(13), 3374-3382, DOI: 10.1021/acs.jpca.8b01366

11) Y. Pan, R. Lin, Y. Chen, S. Liu, W. Zhu, X. Cao, W. Chen, K. Wu, W.-C. Cheong, Y. Wang, L. Zheng, J. Luo, Y. Lin, Y. Liu, C. Liu, J. Li, Q. Lu, X. Chen, D. Wang, Q. Peng, C. Chen, Y. Li, "Design of Single-Atom Co-N5 Catalytic Site: A Robust Electrocatalyst for CO2 Reduction with Nearly 100% CO Selectivity and Remarkable Stability", J. Am. Chem. Soc. 2018, 140(12), 4218-4221, DOI: 10.1021/jacs.8b00814

10) W.-L. Li, J.-B. Lu, L. Zhao, R. Ponec, D. L. Cooper, J. Li, G. Frenking, "Electronic Structure and Bonding Situation in M2O2 (M = Be, Mg, Ca) Rhombic Clusters", J. Phys. Chem. A 2018, 122(10), 2816-2822, DOI: 10.1021/acs.jpca.8b01335

9) S.-X. Hu, J.-J. Liu, J. K. Gibson , J. Li, "Periodic Trends in Actinyl Thio-Crown Ether Complexes", Inorg. Chem. 2018, 57(5), 2899-2907, DOI: 10.1021/acs.inorgchem.7b03277

8) H.-C. Hu, P. Cui, H.-S. Hu, P. Cheng, J. Li, B. Zhao, "Stable ZnI-Containing MOFs with Large [Zn70] Nanocages from Assembly of ZnII ions and Aromatic [ZnI8] Clusters", Chem.-Eur. J. 2018, 24(15), 3637, DOI: 10.1002/chem.201800203

7) J.-X. Liang, Q. Yu, X. Yang, T. Zhang, J. Li, "A Systematic Theoretical Study on the FeOx-Supported Single-Atom Catalysts: M1/FeOx for CO Oxidation", Nano Res. 2018, 11(3), 1599-1611, DOI: 10.1007/s12274-017-1775-0

6) K. Ahmad, C.-R. Chang, J. Li, "Theoretical Studies on Copper-Catalyzed Arylation of Nitrogen Heterocycles from Benzenediazonium Acetate under Ligand-Free Conditions", J. Organomet. Chem. 2018, 864, 50-57, DOI: 10.1016/j.jorganchem.2018.01.006

5) S.-X. Hu, W.-L. Li, J.-B. Lu, J. L. Bao, H. S. Yu, D. G. Truhlar, J. K. Gibson, J. Marcalo, M. Zhou, S. Riedel, W.H.E. Schwarz, J. Li, "On Upper Limits of Oxidation-States in Chemistry", Angew. Chem. Int. Ed. 2018, 57(12), 3242-3245, DOI: 10.1002/anie.201711450 and Angew. Chem. 2018, 130(12), 3297-3300, DOI: 10.1002/ange.201711450

4) W.-L. Li, H.-S. Hu, Y.-F. Zhao, X. Chen, T.-T. Chen, T. Jian, L.-S. Wang, J. Li,"Recent Progress on the Investigations of Boron Clusters and Boron- Based Materials(I): Borophene", Scientia Sinica Chimica 2018, 48(2), 98-107, DOI: 10.1360/N032017-00185(in Chinese).      李婉璐, 胡憾石, 赵亚帆, 陈欣, 陈藤藤, 简添, 王来生, 李隽, 硼团簇及其材料化学研究进展( I ) : 硼墨烯 (borophene), 中国科学化学.

3) X.-L. Ma, J.-C. Liu, H. Xiao, J. Li, "Surface Single-Cluster Catalyst for N2-to-NH3 Thermal Conversion", J. Am. Chem. Soc. 2018, 140(1), 46-49, DOI: 10.1021/jacs.7b10354

2) S. Zhang, Y. Tang, L. Nguyen, Y.-F. Zhao, Z. Wu, T.-W. Goh, J. J. Liu, Y. Li, T. Zhu, W. Huang, A. I. Frenkel, J. Li, F. F. Tao,"Catalysis on Singly Dispersed Rh Atoms Anchored on an Inert Support" , ACS Catal. 2018, 8(1), 110-121, DOI: 10.1021/acscatal.7b01788

1) J.-Q. Wang, C. Chi, H.-S. Hu, L. Meng, M. Luo, J. Li, M. Zhou, "Triple Bonds Between Iron and Heavier Group 15 Elements in AFe(CO)3- (A = As, Sb, Bi) Complexes", Angew. Chem. Int. Ed. 2018, 57(2), 542-546, DOI: 10.1002/anie.201709875 and Angew. Chem. 2018, 130(2), 551-555, DOI: 10.1002/ange.201709875

 

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