Haobo Li

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

  • Appointments

    Date Position Institution name
    2022 - ongoing Externally-funded researcher University of Adelaide
    2021 - 2022 Postdoctoral researcher Fritz Haber Institute of the Max Planck Society
    2018 - 2021 Alexander von Humboldt postdoctoral researcher Technical University Munich
    2017 - 2018 Assistant researcher Westlake University
  • Language Competencies

    Language Competency
    Chinese (Mandarin) -
    English -
    German -
  • Education

    Date Institution name Country Title
    2012 - 2017 Dalian Institute of Chemical Physics China PhD
    2008 - 2012 Nankai University China B.S.
  • Journals

    Year Citation
    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.
    2023 Zhang, S., Li, H., Wang, L., Liu, J., Liang, G., Davey, K., . . . Qiao, S. -Z. (2023). Boosted Photoreforming of Plastic Waste <i>via</i> Defect-Rich NiPS<sub>3</sub> Nanosheets.. Journal of the American Chemical Society.
    2022 Li, H., & Reuter, K. (2022). Ab Initio Thermodynamic Stability of Carbide Catalysts under Electrochemical Conditions. ACS Catalysis, 12(16), 10506-10513.
    DOI Scopus3 WoS3
    2022 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. Journal of Physical Chemistry Letters, 13(48), 11201-11207.
    2022 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.
    DOI Scopus18 WoS13
    2022 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.
    DOI Scopus24 WoS17 Europe PMC1
    2021 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.
    DOI Scopus32 WoS35 Europe PMC1
    2021 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.
    DOI Scopus18 WoS19
    2021 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.
    DOI Scopus12 WoS13 Europe PMC6
    2020 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.
    DOI Scopus82 WoS85 Europe PMC5
    2020 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.
    DOI Scopus91 WoS86 Europe PMC6
    2020 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.
    DOI Scopus15 WoS13
    2019 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.
    DOI Scopus56 WoS56
    2019 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.
    DOI Scopus15 WoS16
    2019 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.
    DOI Scopus10 WoS10
    2019 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.
    DOI Scopus6 WoS7
    2019 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.
    DOI Scopus179 WoS186 Europe PMC11
    2019 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.
    DOI Scopus193 WoS191
    2018 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.
    DOI Scopus29 WoS28
    2018 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.
    DOI Scopus258 WoS263
    2018 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.
    DOI Scopus74 WoS74
    2018 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 &amp; Engineering, 6(12), 15995-16000.
    DOI Scopus39 WoS39
    2018 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.
    DOI Scopus82 WoS81
    2018 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 &amp; Environmental Science, 11(5), 1204-1210.
    DOI Scopus465 WoS466
    2017 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.
    DOI Scopus413 WoS428 Europe PMC51
    2017 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.
    DOI Scopus164 WoS157 Europe PMC27
    2017 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.
    DOI Scopus19 WoS19
    2017 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.
    DOI Scopus249 WoS246
    2017 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.
    DOI Scopus79 WoS76
    2017 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.
    DOI Scopus51 WoS47
    2017 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.
    DOI Scopus43 WoS42 Europe PMC2
    2017 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.
    DOI Scopus92 WoS89 Europe PMC6
    2016 Li, H. (2016). Selective conversion of syngas to light olefins. Science, 351(6277), 1065-1068.
    DOI Scopus884 WoS816 Europe PMC86
    2016 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.
    DOI Scopus57 WoS53
    2016 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.
    DOI Scopus314 WoS313
    2015 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.
    DOI Scopus119 WoS120 Europe PMC31
    2015 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.
    DOI Scopus581 WoS609 Europe PMC77
    2015 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.
    DOI Scopus39 WoS41 Europe PMC7
    2015 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.
    DOI Scopus917 WoS898
    2012 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.
    DOI WoS10
    2011 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.
    DOI WoS26 Europe PMC7
    2010 Kim, T., Li, H., Lian, J., Jin, H., Ma, J., Duan, X., . . . Zheng, W. (2010). Ionic liquid-assisted hydrothermal synthesis of gamma-Al2O3 hierarchical nanostructures. CRYSTAL RESEARCH AND TECHNOLOGY, 45(7), 767-770.
    DOI WoS8
    2010 Ma, J., Duan, X., Lian, J., Kim, T., Peng, P., Liu, X., . . . Zheng, W. (2010). Sb2S3 with Various Nanostructures: Controllable Synthesis, Formation Mechanism, and Electrochemical Performance toward Lithium Storage. CHEMISTRY-A EUROPEAN JOURNAL, 16(44), 13210-13217.
    DOI WoS82 Europe PMC8
    2010 Lian, J., Ma, J., Duan, X., Kim, T., Li, H., & Zheng, W. (2010). One-step ionothermal synthesis of gamma-Al2O3 mesoporous nanoflakes at low temperature. CHEMICAL COMMUNICATIONS, 46(15), 2650-2652.
    DOI WoS76 Europe PMC18
  • Current Higher Degree by Research Supervision (University of Adelaide)

    Date Role Research Topic Program Degree Type Student Load Student Name
    2023 Principal Supervisor Machine Learning Molecular Dynamics for the Electrochemical CO2 reduction on multiple atoms catalysts 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
    2022 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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