近年来发表SCI论文100余篇,被引用2000余次,谷歌学术H-index为28,i10-index为66,部分代表性论文如下:
1. Guo, X.; Liu, Z.*; Fan, Z.*; Liu, B.* New Insights into the Nature of Ti(II) and Ti(III) Active Sites in the Heterogeneous Ziegler–Natta Catalyst. The Journal of Physical Chemistry C 2023. DOI: 10.1021/acs.jpcc.2c08288.
2. Ding, X.; Mu, Y.; Zhu, Y.; Guo, X.; Liu, K.; Sun, L.; Liu, Z.* Mechanistic insight into the carboxylic derivatives formation from CO2 and ethylene over iron(0)-based catalyst. Molecular Catalysis 2023, 541, 113084. DOI: 10.1016/j.mcat.2023.113084.
3. Zhang, H.; Zhang, Z.; Cai, Z.*; Li, M.*; Liu, Z.*, Influence of Silica-Supported Alkylaluminum on Heterogeneous Zwitterionic Anilinonaphthoquinone Nickel and Palladium-Catalyzed Ethylene Polymerization and Copolymerization with Polar Monomers. ACS Catalysis2022, 12(15), 9646–9654. DOI: 10.1021/acscatal.2c02705
4. Guo, X.; Shao, Y.; Luo, J.; Liu, Z.*; Liu, B.*, The atomic defects on the (104) and (110) surfaces of the MgCl2-supported Ziegler-Natta Catalyst: a periodic DFT study. Catalysis Science & Technology2022, 12, 6761-6770. DOI: 10.1039/d2cy01365g
5. Zhong, X. Q.; Liu, L.; Guo, X.; Sun, L.; Liu, B. P.; Liu, Z.*, Cr/PCCP-catalysed selective ethylene oligomerization: analysis of various conformations and the hemilabile methoxy group. Catalysis Science & Technology 2022, 12, 5586-5596. DOI: 10.1039/d2cy01219g
6. Sun, H.; Qiu, P.*; Yang, Y.; Liu, J.; Zhang, L.; Liu, Z.*, Molecular insights into the vinyl acetate synthesis on Pd/Au (1 1 1) Surface: Effects of potassium ion. Applied Surface Science 2022, 571, 151297. DOI: 10.1016/j.apsusc.2021.151297
7. Qiu, P.; Sun, H.*; Yang, Y.; Liu, J.; Liu, Z.*, Molecular insights into the effects of N-doping on synthesis of vinyl acetate over carbon-supported zinc acetate. Catalysis Communications2022, 170, 106490. DOI: 10.1016/j.catcom.2022.106490
8. Zhu, Y.; Guo, X.; Ding, X.; Sun, L.; Zhang, M.; Liu, Z.*, Understanding the acrylates formation from CO2 and ethylene over Ni- and Pd-based catalysts: A DFT study on the effects of solvents, methyl halides, and ligands. Molecular Catalysis2022, 518, 112108. DOI: 10.1016/j.mcat.2021.112108
9. Wang, J.; Liu, C.; Cao, L.; Xiong, Y.; Ye, J.; Liu, Z.*; Cheng, R.*, Theoretical investigation of mechanism and ligand effects on half-sandwich iridium complexes for direct reductive amination. Molecular Catalysis 2022, 517, 112050. DOI: 10.1016/j.mcat.2021.112050
10. Zeng, F.; Guo, X.; Sun, L.*; He, X.; Zeng, Z.; Liu, Z.*, Non-isothermal crosslinking of ethylene vinyl acetate initiated by crosslinking agents: kinetic modelling. RSC Advances2022, 12 (24), 15623-15630. DOI: 10.1039/d2ra01994a
11. Guo, X.; Cui, L.; Yi, J.; Liu, Z.*; Liu, B.*, Understanding the Role of Sulfonyl Amine Donors in Propylene Polymerization Using MgCl2-Supported Ziegler–Natta Catalyst. The Journal of Physical Chemistry C2022., 126(20), 8655-8666. DOI: 10.1021/acs.jpcc.2c02566
12. Chen, Y.; Qiu, P.; Sun, H.; Sun, L.; Liu, Z.*, Mechanistic aspects of the Pd(OAc)n (n=1–3) catalyzed ethylene acetoxylation: A density functional theory study. Applied Organometallic Chemistry2022. 36(10), e6860. DOI:10.1002/aoc.6860
13. Wang, Z.; Liu, L.; Ma, X.; Liu, Y.; Mi, P.; Liu, Z.*; Zhang, J.*, Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study. Catalysis Science & Technology 2021, 11 (13), 4596-4604.
14. Zou, C., Yang L., Zhang L., Liu C., Ma Y., Song G., Liu Z.*, Cheng R.* and Ye J.* Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex. ACS Catalysis, 2021, 11(12): 6865-6871.
15. Liu, L.; Liu, Z.*; Cheng, R.; He, X.; Liu, B., Ligand-Induced Product Switching between 4-Methyl-1-pentene and 2-Methyl-1-pentene in Bis(imino)pyridine/V(III)-Catalyzed Propylene Dimerization: Cossee–Arlman Versus Metallacycle Mechanism. Organometallics2021, 40 (11), 1682-1691.
16. Liu, K.; Liu, Z.*; Cheng, R.; He, X.; Liu, B., Mechanistic study of vanadium-modified and sulfation-modified Phillips catalyst. Molecular Catalysis2021, 513, 111777.
17. Liu, K.; Liu, Z.*; Cheng, R.; He, X.; Liu, B., Mechanistic Studies of Reduction and Initiation over the Vanadium-Oxide Polyethylene Catalyst. The Journal of Physical Chemistry C2021, 125 (4), 2393-2402.
18. Guo, X.; Cui, L.; Wang, Y.; Yi, J.; Sun, J.; Liu, Z.*; Liu, B., Mechanistic Study on Effect of Electron Donors in Propylene Polymerization Using the Ziegler–Natta Catalyst. The Journal of Physical ChemistryC2021, 125 (16), 8533-8542.
19. Huang, P., Liu Z.*, Shao Y., Deng S. and Liu B., Mechanistic Investigation of Zinc-Promoted Silylation of Phenylacetylene and Chlorosilane: A Combined Experimental and Computational Study. Phys. Chem. Chem. Phys. 2020,DOI: 10.1039/D0CP04127K.
20. Liu, K., Liu Z.*, Cheng R., He X. and Liu B., Mechanistic study on the effects of co-catalyst on ethylene polymerization over supported vanadocene catalyst.Molecular Catalysis2020, DOI: 10.1016/j.mcat.2020.110852.
21. Liu, L., Liu Z.*, Tang S., R. Cheng R., He X. and Liu B.,. What Triggered the Switching from Ethylene-Selective Trimerization into Tetramerization over the Cr/(2,2'-Dipicolylamine) Catalysts?.ACS Catalysis 2019, 9(11): 10519-10527.
22. Liu, Z.; Nguyen, V. S.; Harvey, J.; Muller, J.-F.; Peeters, J., The photolysis of α-hydroperoxycarbonyls. Phys. Chem. Chem. Phys. 2018, 20(10), 6970-6979.
23. Liu, Z.; Liu, B., Computational Studies of Chromium/Silica Catalysts.Handbook of Transition Metal Polymerization Catalysts (2nd Edition), John Wiley & Sons, Inc.: 2018, p 131-160. (专著章节)
24. Shao, Y.; Liu, Z.*; Huang, P.; Liu, B.*, A unified model of Grignard reagent formation. Phys. Chem. Chem. Phys. 2018, 20(16), 11100-11108.
25. Liu, L.; Liu, Z.*; Cheng, R.; He, X.; Liu, B.*, Unraveling the Effects of H2, N Substituents and Secondary Ligands on Cr/PNP-Catalyzed Ethylene Selective Oligomerization. Organometallics 2018, 37(21), 3893-3900.
26. Li, Y.; Liu, Z.*; Zhang, J.; Cheng, R.; Liu, B.*, Insights into the Base-assisted Acrylate Formation from CO2/C2H4 Coupling by Pd- and Ni-catalyst: A DFT Mechanistic Study. ChemCatChem 2018, 10(24): 5669-5678.
27. Li, Y.; Liu, Z.*; Cheng, R.; Liu, B.*, Mechanistic Aspects of Acrylic Acid Formation from CO2-EthyleneCoupling over Palladium- and Nickel-based Catalysts. ChemCatChem 2018,10(6), 1420-1430.
28. Muller, J.-F.; Liu, Z.; Nguyen, V. S.; Stavrakou, T.; Harvey, J. N.; Peeters, J., The reaction of methyl peroxy and hydroxyl radicals as a major source of atmospheric methanol. Nat. Commun. 2016, 7, 13213.
29. Liu, Z.; Patel, C.; Harvey, J. N.; Sunoj, R. B., Mechanism and reactivity in the Morita-Baylis-Hillman reaction: the challenge of accurate computations. Phys. Chem. Chem. Phys.2017, 19 (45), 30647-30657.
30. Liu, Z., Cheng R., He X. and Liu B., Reactivity and Regioselectivity of Methylacetylene Cyclotrimerization over the Phillips Cr/Silica Catalyst: A DFT Study. ACS Catalysis2013, 3(6): 1172-1183.