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团队简介
Team Introduction
能源催化与理论计算课题组面向能源(生物质、CO2、低碳烷烃等)转化过程的催化关键科学问题,结合实验手段(反应工程、光谱分析,催化材料设计开发)与理论计算手段,研究反应过程的反应机理与活性位,进而调控能源转化过程中的产品分布。

课题组由3位教授,1位副研究员,以及研究生组成。
祝新利 教授,博导
韩金玉 教授,博导
合作导师:葛庆峰 美国南伊利诺伊大学教授,Journal of CO2 Utilization副主编。

祝新利,天津大学教授,博导。
主要经历:天津大学学士(2002)、博士(2007)学位;美国俄克拉荷马大学博士后、高级研究员(2007-2011);天津大学副教授(2011-2019);天津大学教授(2019-)。
学术兼职:
Science, Nature Catal, Joule, Angew, J Catal, ACS Catal, Appl Catal B, EES, CES, IECR等100余种国际期刊审稿人
258届美国化学会(ACS)年会 催化分会 Catalytic conversion of biomass derived-oxygenates研讨会 主席
Catalysis Today客座编辑
瑞士、波兰等国家自然科学基金评审人
国家自然科学基金函评人
重点研发评审人
学术成绩:在JACS, J Catal, ACS Catal, Appl Catal B等期刊发表SCI收录论文150余篇,SCI源期刊引用6700余次.
天津市 自然科学三等奖(第二完成人) (2017)
基金委第四届化学工程青年科学家论坛 优秀报告 (2014)
教育部 新世纪优秀人才(2012)
天津大学 北洋青年骨干教师(2012)
天津市 自然科学二等奖(第四完成人) (2010)
讲授课程: 能源化工基础(本科);化工热力学(本科);能源化工(研究生);英文科技论文写作(部分)
国家自然科学基金项目 (21206116, 213732148, 21576204, 21676194, 21873067);
企业委托项目;
教育部新世纪优秀人才项目 (NCET-12-0407) ;
University of Oklahoma, USA;
Southern Illinois Unversity, USA
课题组在JACS, J Catal (16篇), ACS Catal (11篇), Appl Catal B (7篇)等期刊发表论文150余篇,SCI引用6700余次。
请参考https://www.webofscience.com/wos/author/rid/A-7328-2011
或https://www.scopus.com/authid/detail.uri?authorId=35367600900
或 https://orcid.org/0000-0002-8681-9994
期刊正封面

近五年通讯作者论文如下
2026
86. Yue W.H.# (岳文惠), Bai D.#, Ding H.#, LiuZ.H., Yang Z.J., Ge Q.F., Zhu X.L.* Engineering the inverse NbOx/M (M= Ni, Pd, and Pt) interfacial sites mediated via strong metal-supportinteractions to enhance selective direct deoxygenation of m-cresol, Journal of Catalysis, 2026, accepted, Sep 26. DOI: 10.1016/j.jcat.2026.117204
85. Yang X.H. (杨玺辉),Feng W.H., Ma X.J., Liu Z.H., Yang Z.J., Ge Q.F., Zhu X.L.* Inverse CeO2/CuCatalysts with Engineered Cu+-OV-Ce3+Interfacial Sites for Reverse Water Gas Shift Reaction, Chemistry A European Journal, 2026, accepted, Sep 25. DOI: 10.1002/chem.71761 (Invited)(VIP paper)
84. Liu Z.H. (刘子皓),Yang Z.J., Zhang R.Y., Han J.Y., Liu C.J., Ge Q.F., Zhu X.L.* Tailoring ZnO/In2O3 oxide/oxide interfacial sites for direct coupling of CH4 and CO2 to acetic acid, Applied Catalysis B: Environment and Energy,2026, 127496, accepted, September 10. DOI: 10.1016/j.apcatb.2026.127496
83. Wu M. (吴嫚), Ding H, Zhao J.Y., Yang Z.J., Zhu X.L.*,Ge Q.F.*, Elucidating the dominant role of framework oxygen basicity at open sitesin the ketonization of acetic acid on Ti-Beta zeolite from DFT and microkineticstudies, Catalysis Science& Technology, 2026, 16 (16), 5324-5337. DOI:10.1039/D6CY00807K
82. Feng W.H. (冯琬惠), Yang Z.J., Yang X.H., Liu Z.H., Ge Q.F., ZhuX.L.* Inverse ZrO2/Cucatalysts featuring abundant interfacial Cu+-OV-Zrq+sites for enhanced reverse water gas shift reaction, Journal of Catalysis,2026, 461, 117053. DOI: 10.1016/j.jcat.2026.117053
81. Zhang R.Y.# (张若愚), Ma X.J.#, Han J.Y., Ge Q.F., Zhu X.L.* Highly Dispersed Ni withPartial Coverage of CeOx Derived from NiCeO2 SolidSolution for Selective Reverse Water Gas Shift Reaction, Industrial & Engineering Chemistry Research, 2026, 65 (11), 5844-5856. DOI: 10.1021/acs.iecr.5c05325
80. Zhang R.Y.# (张若愚), Zhao Y.T.# (赵云涛), Wang M.Y., Liu Z.H., Liu X.Y., Wang N.N., GeQ.F., Zhu X.L.* Origin of StructureSensitivity in CO2 Reduction over Ni/CeO2: From SingleAtoms to Clusters, ACS Catalysis, 2026, 16 (5), 4838-4854. DOI: 10.1021/acscatal.5c08747
79. Shang Y.X.# (尚玉鑫), Yue W.H.#, Liu Z.H., Zhang R.Y.,Ge Q.F., Zhu X.L.* Facet-dependentmetal-support interactions of Ru/CeO2 dictate the activity fordirect deoxygenation of m-cresol, Fuel, 2026, 410, 137966. DOI: 10.1016/j.fuel.2025.137966.
78. Yang Z.J.# (杨子鋆), Ding S.# (丁爽), Zhao J.Y., Zhao J.K.,Han J.Y., Ge Q.F., Zhu X.L.* Enhancementin Lewis Acidity-Basicity of the Ce-O Pairs on CeO2 viaIncorporation of Ga Facilitating Ketonization of Propionic Acid, ACS Catalysis, 2026, 16 (2), 977-991. DOI: 10.1021/acscatal.5c05465 (Front Cover)
77. Zhao Y.T.* (赵云涛),Chen Y., Zhu X.L.*, Ge Q.F.Mechanistic Study of Active O* Generation in HCHO Oxidation on Pt/TiO2(110)Surface, ChemPhysChem, 2026, 27 (1), e202500480. DOI: 10.1002/cphc.202500480
2025
76. Xu J.H.# (徐健鸿), Feng W.H.#, Liu Z.H., Zhang R.Y.,Ge Q.F., Zhu X.L.* Partial Exsolution-Generated Cu Nanoclusters on CuZrO2Solid Solution Facilitate the Reverse Water Gas Shift Reaction, ACS Applied Nano Materials, 2025, 8 (43), 20765-20775. DOI: 10.1021/acsanm.5c03366 (Front Cover)
75. Zhao J.Y. (赵家瑜),Ding H., Wang J., Wu M., Zhu X.L.*,Ge Q.F.* Unraveling the facet dependent activity and surface reactive speciesin ketonization of acetic acid on CeO2(111) and (110), Journalof Chemical Physics, 2025, 163, 044709. DOI: 10.1063/5.0278891
74. Shang Y.X. (尚玉鑫),Ding H., Liu Z.H., Zhang R.Y., Ge Q.F., ZhuX.L.* Crystal phase dependent electronic metal-support interactions tunethe Ru/ZrO2 interfacial sites for enhancing direct deoxygenation ofm-cresol, Journal of Catalysis, 2025, 449, 116233. DOI: 10.1016/j.jcat.2025.116233.
73. Yin W.M. (尹文敏),Yang Z.J., Liu Z.H., Liu C.J., Ge Q.F., ZhuX.L.* Selective ketonization of propionic acid on Fe-MFI Zeolites: crucial rolesof acid strength and density, Catalysis Science Technology, 2025, 15 (9), 2677-2689. DOI: 10.1039/D5CY00175G (Front Cover)
72. Zhang R.Y. (张若愚),Liu C.J., Han J.Y., Ge Q.F., Zhu X.L.*Mechanistic insights into theselectivity switch in CO2 reduction over Ni/SiO2 andNiMo/SiO2 catalysts: A combined study of temperature programmeddesorption, infrared spectroscopy and kinetics, Journal of Catalysis,2025, 443, 115994. DOI: 10.1016/j.jcat.2025.115994.
71. Liu Z.H. (刘子皓),Guo Y.H., Ge Q.F., Zhu X.L.* Crystalfacet engineering of metal oxides for upgrading of biomass derived oxygenates:A perspective, Reaction Chemistry & Engineering, 2025, 10 (4), 750-767.DOI: 10.1039/D4RE00562G. (Front Cover, Invitedperspective)
70. Xu J.H. (徐健鸿),Liu Z.H., Zhang R.Y., Ge Q.F., Zhu X.L.*Solid Solution Derived Cu Clusters on Partially Reduced CuCeO2 withAbundant Oxygen Vacancies Enable Efficient Reverse Water Gas Reaction, Chemistry An Asian Journal, 2025, 20 (8), e202401485. DOI: 10.1002/asia.202401485 (Invited)
69. Liu T.S.# (刘铁森), Zhao J.Y.#, Liu Z.H., Zhu X.L.*, Ge Q.F.* Revealing the Mechanism of Ketonization of AceticAcid on HBEA Zeolite via Metadynamics Simulations, ChemCatChem,2025, 17(2), e202401442. DOI: 10.1002/cctc.202401442 (Invited)
68. Wang J.(王佳),Liu T.S., Han J.Y., Wang H., Zhu X.L.*,Ge Q.F.* Theoretical investigation on the promotional role of Ag for reversewater-gas shift reaction on Ni catalysts during CO2 reduction, International Journal of Hydrogen Energy, 2025,104, 34-48. DOI: 10.1016/j.ijhydene.2024.05.088
2024
67. Yang W.J. (杨伟军),Zhang M.T., Gao M.Y., Zhang Y., Ye Q., ZhuX.L.* Research Progress on Wood Delignification and Its Applications,Chemistry and Industry of Forest Products (林产化学与工业), 2024,44(5), 52-65.
66. Han M.L., Zhang Y., Zhang Y., Ye Q., SillanpääM., Zhu X.L*, Yang W.J.* (杨伟军), A mini-review on polyvinyl alcohol/lignin(nano)composites: Preparation, applications and perspectives, Sustainable Chemistry and Pharmacy, 2024, 42, 101861. DOI: 10.1016/j.scp.2024.101861
65. Zhang R.Y. (张若愚),Xie Z.W., Ge Q.F.*, Zhu X.L.* Recentadvancements in integrating CO2 capture from flue gas and ambientair with thermal catalytic conversion for efficient CO2 utilization,Journal of CO2 Utilization, 2024, 89, 102973. DOI: 10.1016/j.jcou.2024.102973 (Invited review)
64. Bi W.L.# (毕文丽), Zhang R.Y.#, Ge Q.F., Zhu X.L.* Supported Inverse MnOx/PtCatalysts Facilitate Reverse Water Gas Shift Reaction, Catalysts, 2024, 14,456. DOI: 10.3390/catal14070456 (Invited)
63. Bi W.L.# (毕文丽), Wang J.# (王佳), Zhang R.Y., Ge Q.F., Zhu X.L.* Tuning Interfacial Sites of WOx/Pt forEnhancing Reverse Water Gas Shift Reaction, ACS Catalysis, 2024,14, 11205-11217. DOI: 10.1021/acscatal.4c02341
62. Yang Z.J. (杨子鋆),Ge Q.F., Zhu X.L.* Heteroatom Lewisacid zeolites: synthesis, characterization and application in the conversion ofbiomass-derived oxygenates, Green Chemistry, 2024, 26, 8068-8099.DOI: 10.1039/D4GC00985A (Invited review)
61. Qin Y.Y. (秦雨瑶),Li L.W., Liu H.X., Han J.Y., Wang H., ZhuX.L.*, Ge Q.F.* Anionic oxyl radical formed on CrVI-oxo anchoredon the defect site of the UiO-66 node facilitates methane to methanolconversion, Journal of Chemical Physics, 2024, 160, 134701.DOI: 10.1063/5.0201753
60. Liu H.X. (刘慧娴),Qin Y.Y., Li L.W., Wang H., Zhu X.L.*,Ge Q.F.* CH3 radical-mediated direct methane to methanol conversionover CuO supported on rutile oxides, Journalof Catalysis, 2024, 431, 115388. DOI: 10.1016/j.jcat.2024.115388
59. Liu Z.H.# (刘子皓), Guo Y.H.#, Wang H., Zhu X.L.* Role of Na in the stabilityenhancement of CeO2 catalysts for ketonization of propionic acid, Applied Catalysis A General, 2024, 672, 119593. DOI: 10.1016/j.apcata.2024.119593
58. Zhao Y.T. (赵云涛),Fontillas N., Wang H., Zhu X.L.*,Mei D.H., Ge Q.F.* Single Pd Atom−In2O3Catalyzes Production of CH3CH2OH from Atom-Economic C−CCoupling of HCHO and CH4, ACS Catalysis, 2024, 14, 1714-1724.DOI: 10.1021/acscatal.3c05163
57. Yang Z.J. (杨子鋆),Yu Q., Wang H., Ge Q.F., Zhu X.L.* Ketonizationof propionic acid over TS-1 and Ti-Beta zeolites: Mechanism and effects oftopology and hydrophobicity, Journal of Catalysis, 2024, 429, 115247. DOI: 10.1016/j.jcat.2023.115247
56. Ding S.N. (丁诗凝),Zhu X.L.* Tuning StrongMetal-Support Interactions for Enhancing Direct Deoxygenation of Biomass-LigninDerived Phenolics, ChemCatChem, 2024, 16, e202301552.DOI: 10.1002/cctc.202301552 (Invited concept)
55. Wang Y.J. (王颖杰),Zhu X.L.* Highly dispersed Ni-Cu/SiO2synthesized by sol-gel method for prompting direct deoxygenation of m-cresol totoluene, Chemical Industry and Engineering Progress (化工进展), 2024, 43(7),3824-3833. DOI: 10.16085/j.issn.1000-6613.2023-1009
54. Huang J. (黄胶),Wang H., Han J.Y., Zhu X.L.* Ketonizationof propionic acid on potassium-doped anatase TiO2 catalysts, Journalof Chemical Engineering of Chinese Universities (高校化学工程学报), 2024, 38, 459-467. DOI: https://link.cnki.net/urlid/33.1141.TQ.20240430.1332.008
2023
53. Wang Y.J. (王颖杰), Wang H., Han J.Y., Ge Q.F.*, Zhu X.L.*Enhancing direct deoxygenation ofm-cresol to toluene through inhibiting C-C hydrogenolysis via alloying Ni withCu, Chemical Engineering Research and Design, 2023, 199, 49-60. DOI: 10.1016/j.cherd.2023.09.023 (Invited)
52. Huang J.# (黄胶), Li L.W.#, Wu X.X., Guo Y.H., YangZ.J., Wang H., Ge Q.F., Zhu X.L.* Crystalfacet dependence of the ketonization of propionic acid on anatase TiO2, Catalysis Science Technology, 2023, 13, 5924-5937. DOI: 10.1039/d3cy00917c (Invited)
51. Liu H.X. (刘慧娴),Li L.W., Qin Y.Y., Wang H., Zhu X.L.*,Ge Q.F.* Synergetic C–H bond activation and C–O formation on CuOxfacilities facile conversion of methane to methanol. Applied Surface Science,2023, 627, 157283. DOI: 10.1016/j.apsusc.2023.157283
50. Li L.W. (李立雯),Liu H.X., Qin Y.Y., Wang H., Han J.Y., ZhuX.L.*, Ge Q.F.* Tracking Atomic Diffusion in Surface and Bulk CuO viaNeural Network-Based Molecular Dynamics. Journal of Physical Chemistry C,2023, 127, 6948-6958. DOI: 10.1021/acs.jpcc.3c00404
49. Wu B.W.#(伍博文), Li L.W.#, Wang H., HanJ.Y., Zhu X.L.*, Ge Q.F.* Role of MoOx/Ni(111)Interfacial Sites in Direct Deoxygenation of Phenol toward Benzene. Catalysis Science Technology,2023, 13, 2201-2211. DOI: 10.1039/D2CY01529C
48. Wu X.X. (吴晓霞), Liu C.J., Wang H., Ge Q.F., Zhu X.L.* Origin of strong metal-support interactions between Pt and anatase TiO2facets for hydrodeoxygenation of m-cresol on Pt/TiO2 catalysts. Journal of Catalysis,2023, 418, 203-215. DOI: 10.1016/j.jcat.2023.01.023
47. Li L.W. (李立雯), Liu H.X., Qin Y.Y., Wang H., Han J.Y., Zhu X.L.*, Ge Q.F.* Coupled oxygen desorptionand structural reconstruction accompanying reduction of copper oxide. Journal of Chemical Physics,2023, 158, 054702. DOI: 10.1063/5.0136537
46. Qin Y.Y. (秦雨瑶), Liu H.X., Li L.W., Han J.Y., Wang H., Zhu X.L.*, Ge Q.F.* Hydroperoxyl-mediated C-Hbond activation on Cr single atom catalyst: An alternative to the Fentonmechanism. Journal of Catalysis, 2023, 417, 323-333. DOI: 10.1016/j.jcat.2022.12.017
45. Zhang C. (张楚), Zhang R.Y., Liu Y.X, Wu X.X., Wang H., GeQ.F., Zhu. X.L.* Blocking Methanation during Reverse Water Gas Shift Reaction on Ni/SiO2Catalysts by Surface Ag. ChemCatChem, 2023, 15, e202201284.DOI: 10.1002/cctc.202201284
44. Tan C.X. (谭春晓), Liu H.X., Qin Y.Y., Li L.W., Wang H., Zhu X.L.*, Ge Q.F.* Correlation between theProperties of Surface Lattice Oxygen on NiO and Its Reactivity and Selectivitytowards the Oxidative Dehydrogenation of Propane. ChemPhysChem, 2023,24, e202200539. DOI: 10.1002/cphc.202200539
2022
43. Wei A.L. (魏安璐), Zhang R.Y., Qin Y.Y., Wang H., ZhuX.L.*, Ge Q.F.* TheoreticalInsight into Tuning CO2 Methanation and Reverse Water Gas ShiftReactions on MoOx‑Modified Ni Catalysts. Journal of Physical Chemistry C, 2022, 126, 18078-18089. DOI: 10.1021/acs.jpcc.2c03216 (Front Cover)
42. Zhang R.Y. (张若愚), Ge Q.F., Zhu X.L.* Combining reverse water gas shift with gas fermentation for renewableliquid fuel synthesis. Chem Catalysis, 2022, 2, 2137-2139. DOI: 10.1016/j.checat.2022.08.011 (Invited)
41. Cui B.L. (崔蓓蕾), Wang H., Ge Q.F., Zhu X.L.* Size-DependentStrong Metal–Support Interactions of Rutile TiO2-Supported NiCatalysts for Hydrodeoxygenation of m-Cresol. Catalysts, 2022, 12,955. DOI: 10.3390/catal12090955
40. Cui B.L. (崔蓓蕾), Wang H., Han J.Y., Ge Q.F., Zhu X.L.*Crystal-phase-depended strong metal-support interactions enhancinghydrodeoxygenation of m-cresol on Ni/TiO2 catalysts. Journal of Catalysis,2022, 413, 880-890. DOI: 10.1016/j.jcat.2022.07.039
39. Liu Y.X. (刘宇新), Li L.W., Zhang R.Y., Guo Y.H., Wang H., GeQ.F., Zhu. X.L.*Synergetic enhancement of activity and selectivity for reverse water gas shiftreaction on Pt-Re/SiO2 catalysts. Journal of CO2 Utilization,2022, 63, 102128. DOI: 10.1016/j.jcou.2022.102128
38. Guo Y.H.#(郭永华), Qin Y.Y.#, Liu H.X., WangH., Han J.Y., Zhu X.L.*, Ge Q.F. CeO2 Facet-DependentSurface Reactive Intermediates and Activity during Ketonization of PropionicAcid. ACS Catalysis, 2022, 12, 2998-3012. DOI: 10.1021/acscatal.1c05994 (Front Cover)
37. Yang Z.J. (杨子鋆), Yu Q., Guo Y.H., Wu X.X., Wang H., Han J.Y.,Ge Q.F., Zhu.X.L.* Effect of postsynthesis preparation methods oncatalytic performance of Ti-Beta zeolite in ketonization of propionic acid. Microporous and Mesoporous Materials, 2022, 330, 111625. DOI: 10.1016/j.micromeso.2021.111625
2021
36. Fu D.S. (付德森), Wu X.X., Cui B.L., Guo Y.H., Wang H., HanJ.Y., Ge Q.F., Zhu X.L.* Ru0.05Ce0.95O2Solid Solution Derived Ru Catalyst Enables Selective Hydrodeoxygenation ofm-Cresol to Toluene, ChemCatChem, 2021, 13, 4814-4823. DOI: 10.1002/cctc.202101239
35. Zhang R.Y. (张若愚), Wei A.L., Zhu M., Wu X.X., Wang H., Zhu X.L.*, Ge Q.F. Tuningreverse water gas shift and methanation reactions during CO2reduction on Ni catalysts via surface modification by MoOx, Journal of CO2 Utilization,2021, 52, 101678. DOI: 10.1016/j.jcou.2021.101678
34. Yu Q. (于强), Guo Y.H., Wu X.X., Yang Z.J., Wang H., GeQ.F., Zhu X.L.*Ketonization of Propionic Acid on Lewis Acidic Zr-Beta Zeolite with ImprovedStability and Selectivity. ACS Sustainable Chemistry Engineering, 2021, 9, 7982-7992.DOI: 10.1021/acssuschemeng.1c02290 (Front Cover)
33. Yang F.F. (杨菲菲), Komarneni M.R., Libretto N.J., Li L.W., ZhouW., Miller J.T., Ge Q.F., ZhuX.L.*, Resasco D.E.* Elucidating the Structure of BimetallicNiW/SiO2 Catalysts and Its Consequences on Selective Deoxygenationof m-Cresol to Toluene. ACS Catalysis, 2021, 11, 2935-2948. DOI: 10.1021/acscatal.0c05560.
32. Zhu X.L.*, Faria J.A.*,Crossley S.P.* Preface: Selected contributions from symposium ofCatalytic Conversion of Biomass-Derived Oxygenates in 258th ACS Nationalmeeting. Catalysis Today,2021, 365, 142. DOI: 10.1016/j.cattod.2021.01.004.
31. Wu X.X. (吴晓霞), Ge Q.F.*, Zhu X.L.* Vapor phase hydrodeoxygenation ofphenolic compounds on group 10 metal-based catalysts: Reaction mechanism andproduct selectivity control. Catalysis Today, 2021, 365, 143-161. DOI: 10.1016/j.cattod.2020.12.033.

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