Haobo Li
School of Chemical Engineering
Faculty of Sciences, Engineering and Technology
Eligible to supervise Masters and PhD - email supervisor to discuss availability.
Artificial-Intelligence assisted design of catalysts
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Appointments
Date Position Institution name 2024 - 2026 ARC DECRA Fellow University of Adelaide 2022 - 2023 Research Fellow University of Adelaide 2018 - 2021 Alexander von Humboldt Fellowship Technical University Munich 2017 - 2018 Assistant researcher Westlake University -
Language Competencies
Language Competency Chinese (Mandarin) Can read, write, speak, understand spoken and peer review English Can read, write, speak, understand spoken and peer review German Can read, write, speak and understand spoken -
Education
Date Institution name Country Title 2012 - 2017 Dalian Institute of Chemical Physics China PhD 2008 - 2012 Nankai University China B.S.
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Journals
Year Citation 2024 Wu, D., Wu, J., Li, H., Lv, W., Song, Y., Ma, D., & Jia, Y. (2024). Unlocking the potential of alkaline-earth metal active centers for nitrogen activation and ammonia synthesis: the role of s-d orbital synergy. Journal of Materials Chemistry A, 12(7), 4278-4289.
Scopus12024 Chen, Y., Yang, C., Li, H., Ma, Z., Wu, D., Yao, Y., . . . Ma, D. (2024). Ti<sup>3+</sup> redox dynamics enabling efficient nitrate reduction to ammonia on Ti<inf>2</inf>O<inf>3</inf>. Chemical Engineering Journal, 481, 148857.
2024 Xu, X., Li, H., Han, X., & Zheng, Y. (2024). Enhancing electrochemical methane coupling in solid oxide cells by tuning oxygen species in the catalyst. Journal of Materials Chemistry A, 12(9), 5115-5123.
2024 Liu, Z., Li, G., Xi, M., Huang, Y., Li, H., Jin, H., . . . Guo, Z. (2024). Interfacial Engineering of Zn Metal via a Localized Conjugated Layer for Highly Reversible Aqueous Zinc Ion Battery. Angewandte Chemie International Edition, 63(14), e202319091-1-e202319091-9.
Scopus12024 Li, H., Wu, D., Wu, J., Lv, W., Duan, Z., & Ma, D. (2024). Graphene-based iron single-atom catalysts for electrocatalytic nitric oxide reduction: a first-principles study. Nanoscale, 16(14), 7058-7067.
2023 Zhang, D., Li, H., Lu, H., Yin, Z., Fusco, Z., Riaz, A., . . . Karuturi, S. (2023). Unlocking the performance of ternary metal (hydro)oxide amorphous catalysts via data-driven active-site engineering. Energy and Environmental Science, 11(11), 5065-5075.
Scopus12023 Wu, J., Wu, D., Li, H., Song, Y., Lv, W., Yu, X., & Ma, D. (2023). Tailoring the coordination environment of double-atom catalysts to boost electrocatalytic nitrogen reduction: a first-principles study. Nanoscale, 15(39), 16056-16067.
Scopus15 Europe PMC12023 Yao, Y., Wang, H., Dong, K., Li, H., Liang, J., Li, R., . . . Sun, X. (2023). Shifting the O<inf>2</inf> reduction pathway from H<inf>2</inf>O to H<inf>2</inf>O<inf>2</inf>via in situ reconstruction of Ti<inf>2</inf>O<inf>3</inf> nanoparticles. Journal of Materials Chemistry A, 11(41), 22154-22160.
Scopus8 WoS42023 Wu, D., Wu, J., Lv, P., Li, H., Chu, K., & Ma, D. (2023). Atomically Dispersed Alkaline-Earth Metals as Active Centers for CO<inf>2</inf> Electroreduction to Exclusively Produce Formate. Small Structures, 4(7).
Scopus232023 Zhao, Y., Li, H., Shan, J., Zhang, Z., Li, X., Shi, J. Q., . . . Li, H. (2023). Machine Learning Confirms the Formation Mechanism of a Single-Atom Catalyst via Infrared Spectroscopic Analysis. Journal of Physical Chemistry Letters, 14(49), 11058-11062.
2023 Li, H., Jiao, Y., Davey, K., & Qiao, S. (2023). Data-driven Machine Learning for Understanding Surface Structures of Heterogeneous Catalysts. Angewandte Chemie International Edition, 62(9), e202216383-1-e202216383-13.
Scopus29 WoS8 Europe PMC32023 Zhang, S., Li, H., Wang, L., Liu, J., Liang, G., Davey, K., . . . Qiao, S. -Z. (2023). Boosted Photoreforming of Plastic Waste via Defect-Rich NiPS₃ Nanosheets. Journal of the American Chemical Society, 145(11), 6410-6419.
Scopus38 WoS14 Europe PMC52023 Li, H., Li, H., Wei, P., Wang, Y., Zang, Y., Gao, D., . . . Bao, X. (2023). Tailoring acidic microenvironments for carbon-efficient CO<inf>2</inf> electrolysis over a Ni-N-C catalyst in a membrane electrode assembly electrolyzer. Energy and Environmental Science, 16(4), 1502-1510.
Scopus49 WoS172023 Mairegger, T., Li, H., Grießer, C., Winkler, D., Filser, J., Hörmann, N. G., . . . Kunze-Liebhäuser, J. (2023). Electroreduction of CO<sub>2</sub> in a Non-aqueous Electrolyte─The Generic Role of Acetonitrile. ACS Catalysis, 13(9), 5780-5786.
Scopus3 WoS1 Europe PMC12023 Karuturi, S., Zhang, D., Li, H., Lu, H., Yin, Z., Fusco, Z., . . . Catchpole, K. (2023). WITHDRAWN: Unlocking the performance of ternary metal (hydro)oxide amorphous catalysts via data-driven active-site engineering.
2023 Shen, H., Jin, H., Li, H., Wang, H., Duan, J., Jiao, Y., & Qiao, S. -Z. (2023). Acidic CO2-to-HCOOH electrolysis with industrial-level current on phase engineered tin sulfide.. Nature Communications, 14(1), 10 pages.
Scopus41 WoS4 Europe PMC22023 Li, H., Jiang, Y., Li, X., Davey, K., Zheng, Y., Jiao, Y., & Qiao, S. -Z. (2023). C₂₊ Selectivity for CO₂ Electroreduction on Oxidized Cu-Based Catalysts. Journal of the American Chemical Society, 145(26), 14335-14344.
Scopus25 WoS4 Europe PMC42023 Jiao, Y., Li, H., Jiao, Y., & Qiao, S. -Z. (2023). Activity and Selectivity Roadmap for C-N Electro-Coupling on MXenes. J Am Chem Soc, 145(28), 15572-15580.
Scopus13 WoS4 Europe PMC22023 Wu, H., Xu, X., Wu, J., Zhai, J., Wu, F., Li, Y., . . . Gao, Y. (2023). Atomic Engineering Modulates Oxygen Reduction of Hollow Carbon Matrix Confined Single Metal-Nitrogen Sites for Zinc-Air Batteries. Small, 19(44), 10 pages.
Scopus12023 Li, X., Li, H., Zhang, Z., Shi, J. Q., Jiao, Y., & Qiao, S. -Z. (2023). Active-learning accelerated computational screening of A₂B@NG catalysts for CO₂ electrochemical reduction. Nano Energy, 115, 108695-1-108695-9.
Scopus22022 Lin, Y., Liang, J., Li, H., Zhang, L., Mou, T., Li, T., . . . Sun, X. (2022). Bi nanodendrites for highly efficient electrocatalytic NO reduction to NH<inf>3</inf> at ambient conditions. Materials Today Physics, 22, 1-7.
Scopus462022 Jin, H., Yu, H., Li, H., Davey, K., Song, T., Paik, U., & Qiao, S. (2022). MXene Analogue: A 2D Nitridene Solid Solution for High‐Rate Hydrogen Production. Angewandte Chemie, 134(27), 1-8.
2022 Li, H., & Reuter, K. (2022). Ab Initio Thermodynamic Stability of Carbide Catalysts under Electrochemical Conditions. ACS Catalysis, 12(16), 10506-10513.
Scopus7 WoS62022 Wei, W., Zhang, C., Li, H., Pan, J., Tan, Z., Li, Y., & Cui, Y. (2022). In Situ Growth Dynamics of Uniform Bilayer Graphene with Different Twisted Angles Following Layer-by-Layer Mode.. J Phys Chem Lett, 13(48), 11201-11207.
Scopus5 Europe PMC12022 Zhang, D., Li, H., Riaz, A., Sharma, A., Liang, W., Wang, Y., . . . Karuturi, S. (2022). Unconventional direct synthesis of Ni₃N/Ni with N-vacancies for efficient and stable hydrogen evolution. Energy and Environmental Science, 15(1), 185-195.
Scopus42 WoS282022 Jin, H., Yu, H., Li, H., Davey, K., Song, T., Paik, U., & Qiao, S. (2022). MXene Analogue: A 2D Nitridene Solid Solution for High Rate Hydrogen Production. Angewandte Chemie International Edition, 61(27), 8 pages.
Scopus66 WoS43 Europe PMC62021 Lin, L., Li, H., Wang, Y., Li, H., Wei, P., Nan, B., . . . Bao, X. (2021). Temperature-Dependent CO<inf>2</inf> Electroreduction over Fe-N-C and Ni-N-C Single-Atom Catalysts. Angewandte Chemie - International Edition, 60(51), 26582-26586.
Scopus62 WoS47 Europe PMC42021 Li, H., Liu, Y., Chen, K., Margraf, J. T., Li, Y., & Reuter, K. (2021). Subgroup Discovery Points to the Prominent Role of Charge Transfer in Breaking Nitrogen Scaling Relations at Single-Atom Catalysts on VS<inf>2</inf>. ACS Catalysis, 11(13), 7906-7914.
Scopus33 WoS242021 Griesser, C., Li, H., Wernig, E. M., Winkler, D., Shakibi Nia, N., Mairegger, T., . . . Kunze-Liebhäuser, J. (2021). True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity. ACS Catalysis, 11(8), 4920-4928.
Scopus23 WoS20 Europe PMC102020 Cui, X., Ren, P., Ma, C., Zhao, J., Chen, R., Chen, S., . . . Deng, D. (2020). Robust Interface Ru Centers for High‐Performance Acidic Oxygen Evolution. Advanced Materials, 32(25), 1908126-1-1908126-7.
Scopus144 WoS110 Europe PMC132020 Dong, J., Fu, Q., Li, H., Xiao, J., Yang, B., Zhang, B., . . . Bao, X. (2020). Reaction-Induced Strong Metal–Support Interactions between Metals and Inert Boron Nitride Nanosheets. Journal of the American Chemical Society, 142(40), 17167-17174.
Scopus162 WoS123 Europe PMC132020 Li, H., & Reuter, K. (2020). Active-Site Computational Screening: Role of Structural and Compositional Diversity for the Electrochemical CO₂ Reduction at Mo Carbide Catalysts. ACS Catalysis, 10(20), 11814-11821.
Scopus18 WoS162019 Li, R., Liu, Y., Li, H., Zhang, M., Lu, Y., Zhang, L., . . . Yan, K. (2019). One-Step Synthesis of NiMn-Layered Double Hydroxide Nanosheets Efficient for Water Oxidation. Small Methods, 3(1), 1800344-1-1800344-5.
Scopus68 WoS622019 Li, H., Guo, C., Fu, Q., & Xiao, J. (2019). Toward Fundamentals of Confined Electrocatalysis in Nanoscale Reactors. The Journal of Physical Chemistry Letters, 10(3), 533-539.
Scopus19 WoS17 Europe PMC12019 Wang, A., Zhang, M., Li, H., Wu, F., Yan, K., & Xiao, J. (2019). Combination of Theory and Experiment Achieving a Rational Design of Electrocatalysts for Hydrogen Evolution on the Hierarchically Mesoporous CoS<sub>2</sub> Microsphere. The Journal of Physical Chemistry C, 123(22), 13428-13433.
Scopus14 WoS132019 Wang, S., Li, H., He, M., Cui, X., Hua, L., Li, H., . . . Deng, D. (2019). Room-temperature conversion of ethane and the mechanism understanding over single iron atoms confined in graphene. Journal of Energy Chemistry, 36, 47-50.
Scopus11 WoS82019 Lin, L., Li, H., Yan, C., Li, H., Si, R., Li, M., . . . Bao, X. (2019). Synergistic Catalysis over Iron‐Nitrogen Sites Anchored with Cobalt Phthalocyanine for Efficient CO <sub>2</sub> Electroreduction. Advanced Materials, 31(41), 7 pages.
Scopus245 WoS213 Europe PMC212019 Cheng, Y., Zhao, S., Li, H., He, S., Veder, J. -P., Johannessen, B., . . . Jiang, S. P. (2019). Unsaturated edge-anchored Ni single atoms on porous microwave exfoliated graphene oxide for electrochemical CO₂. Applied Catalysis B: Environmental, 243, 294-303.
Scopus247 WoS2162018 Wang, J., Cui, X., Li, H., Xiao, J., Yang, J., Mu, X., . . . Bao, X. (2018). Highly efficient catalytic scavenging of oxygen free radicals with graphene-encapsulated metal nanoshields. Nano Research, 11(5), 2821-2835.
Scopus35 WoS302018 Cui, X., Li, H., Wang, Y., Hu, Y., Hua, L., Li, H., . . . Bao, X. (2018). Room-Temperature Methane Conversion by Graphene-Confined Single Iron Atoms. Chem, 4(8), 1902-1910.
Scopus348 WoS3122018 Jiang, X., Li, H., Xiao, J., Gao, D., Si, R., Yang, F., . . . Bao, X. (2018). Carbon dioxide electroreduction over imidazolate ligands coordinated with Zn(II) center in ZIFs. Nano Energy, 52, 345-350.
Scopus115 WoS942018 Wang, A., Li, H., Xiao, J., Lu, Y., Zhang, M., Hu, K., & Yan, K. (2018). Integration of Theory and Experiment on Mesoporous Nickel Sulfide Microsphere for Hydrogen Evolution Reaction. ACS Sustainable Chemistry & Engineering, 6(12), 15995-16000.
Scopus44 WoS402018 Li, X., Lin, B., Li, H., Yu, Q., Ge, Y., Jin, X., . . . Xiao, J. (2018). Carbon doped hexagonal BN as a highly efficient metal-free base catalyst for Knoevenagel condensation reaction. Applied Catalysis B: Environmental, 239, 254-259.
Scopus101 WoS912018 Yan, C., Li, H., Ye, Y., Wu, H., Cai, F., Si, R., . . . Bao, X. (2018). Coordinatively unsaturated nickel–nitrogen sites towards selective and high-rate CO<sub>2</sub>electroreduction. Energy & Environmental Science, 11(5), 1204-1210.
Scopus595 WoS5262017 Deng, J., Li, H., Wang, S., Ding, D., Chen, M., Liu, C., . . . Bao, X. (2017). Multiscale structural and electronic control of molybdenum disulfide foam for highly efficient hydrogen production. Nature Communications, 8(1), 14430-1-14430-8.
Scopus475 WoS450 Europe PMC612017 Li, H., Xiao, J., Fu, Q., & Bao, X. (2017). Confined catalysis under two-dimensional materials. Proceedings of the National Academy of Sciences, 114(23), 5930-5934.
Scopus206 WoS179 Europe PMC312017 Liu, Q., Liu, Y., Li, H., Li, L., Deng, D., Yang, F., & Bao, X. (2017). Towards the atomic-scale characterization of isolated iron sites confined in a nitrogen-doped graphene matrix. Applied Surface Science, 410, 111-116.
Scopus21 WoS202017 Ye, Y., Cai, F., Li, H., Wu, H., Wang, G., Li, Y., . . . Bao, X. (2017). Surface functionalization of ZIF-8 with ammonium ferric citrate toward high exposure of Fe-N active sites for efficient oxygen and carbon dioxide electroreduction. Nano Energy, 38, 281-289.
Scopus292 WoS2622017 Ye, Y., Li, H., Cai, F., Yan, C., Si, R., Miao, S., . . . Bao, X. (2017). Two-Dimensional Mesoporous Carbon Doped with Fe–N Active Sites for Efficient Oxygen Reduction. ACS Catalysis, 7(11), 7638-7646.
Scopus91 WoS822017 Li, P., Li, H., Pan, X., Tie, K., Cui, T., Ding, M., & Bao, X. (2017). Catalytically Active Boron Nitride in Acetylene Hydrochlorination. ACS Catalysis, 7(12), 8572-8577.
Scopus57 WoS502017 Xiao, J., Pan, X., Zhang, F., Li, H., & Bao, X. (2017). Size-dependence of carbon nanotube confinement in catalysis. Chemical Science, 8(1), 278-283.
Scopus56 WoS49 Europe PMC32017 Gao, L., Wang, Y., Li, H., Li, Q., Ta, N., Zhuang, L., . . . Bao, X. (2017). A nickel nanocatalyst within a h-BN shell for enhanced hydrogen oxidation reactions. Chemical Science, 8(8), 5728-5734.
Scopus112 WoS99 Europe PMC92016 Li, H. (2016). Selective conversion of syngas to light olefins. Science, 351(6277), 1065-1068.
Scopus1097 WoS928 Europe PMC1112016 Tu, Y., Li, H., Deng, D., Xiao, J., Cui, X., Ding, D., . . . Bao, X. (2016). Low charge overpotential of lithium-oxygen batteries with metallic Co encapsulated in single-layer graphene shell as the catalyst. Nano Energy, 30, 877-884.
Scopus66 WoS602016 Wu, H., Li, H., Zhao, X., Liu, Q., Wang, J., Xiao, J., . . . Bao, X. (2016). Highly doped and exposed Cu(<scp>i</scp>)–N active sites within graphene towards efficient oxygen reduction for zinc–air batteries. Energy and Environmental Science, 9(12), 3736-3745.
Scopus365 WoS3412015 Zhang, Y., Weng, X., Li, H., Li, H., Wei, M., Xiao, J., . . . Bao, X. (2015). Hexagonal boron nitride cover on Pt(111): A new route to tune molecule-metal interaction and metal-catalyzed reactions. Nano Letters, 15(5), 3616-3623.
Scopus132 WoS125 Europe PMC322015 Deng, D., Chen, X., Yu, L., Wu, X., Liu, Q., Liu, Y., . . . Bao, X. (2015). Chemistry: A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature. Science Advances, 1(11), 9 pages.
Scopus701 WoS675 Europe PMC892015 Yang, Y., Fu, Q., Li, H., Wei, M., Xiao, J., Wei, W., & Bao, X. (2015). Creating a Nanospace under an h-BN Cover for Adlayer Growth on Nickel(111). ACS Nano, 9(12), 11589-11598.
Scopus44 WoS43 Europe PMC82015 Deng, J., Li, H., Xiao, J., Tu, Y., Deng, D., Yang, H., . . . Bao, X. (2015). Triggering the electrocatalytic hydrogen evolution activity of the inert two-dimensional MoS<inf>2</inf> surface via single-atom metal doping. Energy and Environmental Science, 8(5), 1594-1601.
Scopus1084 WoS9802012 Li, H., Duan, X., Ma, J., & Zheng, W. (2012). A controllable ionic liquid-assisted hydrothermal route to prepare CoCO3 crystals and their conversion to porous Co3O4. CRYSTAL RESEARCH AND TECHNOLOGY, 47(1), 25-30.
WoS102011 Duan, X., Liu, X., Chen, Q., Li, H., Li, J., Hu, X., . . . Zheng, W. (2011). Ionic liquid-assisted synthesis of CdSe dendrites from nanospheres through oriented attachment. DALTON TRANSACTIONS, 40(9), 1924-1928.
WoS26 Europe PMC72010 Kim, T., Li, H., Lian, J., Jin, H., Ma, J., Duan, X., . . . Zheng, W. (2010). Ionic liquid-assisted hydrothermal synthesis of γ-Al<sub>2</sub>O<sub>3</sub> hierarchical nanostructures. CRYSTAL RESEARCH AND TECHNOLOGY, 45(7), 767-770.
WoS82010 Ma, J., Duan, X., Lian, J., Kim, T., Peng, P., Liu, X., . . . Zheng, W. (2010). Sb<sub>2</sub>S<sub>3</sub> with Various Nanostructures: Controllable Synthesis, Formation Mechanism, and Electrochemical Performance toward Lithium Storage. CHEMISTRY-A EUROPEAN JOURNAL, 16(44), 13210-13217.
WoS85 Europe PMC92010 Lian, J., Ma, J., Duan, X., Kim, T., Li, H., & Zheng, W. (2010). One-step ionothermal synthesis of γ-Al<sub>2</sub>O<sub>3</sub> mesoporous nanoflakes at low temperature. CHEMICAL COMMUNICATIONS, 46(15), 2650-2652.
WoS77 Europe PMC19 -
Preprint
Year Citation 2024 Qiao, S., Li, H., Li, X., wang, P., zhang, Z., Davey, K., & Shi, J. (2024). Establishing C-C electro-coupling mechanism via big data analyses of reaction networks.
ARC DECRA Fellowship (2024-2026), DE240100661, Sole CI, Designing Multi-Metallic Compound Electrocatalysts for Chemicals Production, $439,237
ARC Discovery project (2023-2025), DP230102027, CI, Sustainable Production of C1/C2 Commodity-Chemicals under mbient Conditions via Efficient Electrocatalysis, $714,888
Alexander von Humboldt Fellowship (2018-2021), Sole CI, Transition Metal Carbides for Electrochemical CO2 Reduction, €117,000
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Current Higher Degree by Research Supervision (University of Adelaide)
Date Role Research Topic Program Degree Type Student Load Student Name 2023 Co-Supervisor Development of high-performance perovskites for solid oxide cells Doctor of Philosophy Doctorate Full Time Mr Xu Han 2023 Principal Supervisor Data-driven Machine-learning Assisted Design of Electrocatalysts for Green C2 Chemical Production Doctor of Philosophy Doctorate Full Time Mr Zhen Tan 2022 Co-Supervisor Design Electrocatalyst Materials for Synthetic Fuel/Chemical Production by Molecular Modelling Doctor of Philosophy Doctorate Full Time Mr Yiran Jiao -
Past Higher Degree by Research Supervision (University of Adelaide)
Date Role Research Topic Program Degree Type Student Load Student Name 2022 - 2024 Principal Supervisor Infrared Spectroscopy Data-driven Machine learning for Unveiling Thermolysis Pathways of Metal-Organic Frameworks Master of Philosophy Master Full Time Mr Yanzhang Zhao
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