Ling Chen

Dr Ling Chen

Grant-Funded Researcher (A)

Optimisation and Stabilisation

Integration Management Office

Eligible to supervise Masters and PhD (as Co-Supervisor) - email supervisor to discuss availability.

My research centers on the computational design and discovery of efficient, low-cost catalysts for sustainable energy applications, using first-principles calculations and high-throughput screening techniques. I specialize in electrocatalysis, with complementary experience in photocatalysis, and focus on reactions central to the Water, Carbon, and Nitrogen cycles, including:

  • Hydrogen Evolution (HER) and Hydrogen Oxidation (HOR)
  • Oxygen Evolution (OER) and Oxygen Reduction (ORR)
  • Carbon Dioxide Reduction (CO₂RR)
  • Nitrogen Reduction (NRR)

Key areas of contribution:

  • Carbon Cycle Catalysts: Designing transition-metal and single-atom catalysts for CO₂-to-fuel conversion via C–C coupling and multi-carbon product selectivity, inspired by biological CO₂ fixation and aided by reaction pathway analysis and descriptor engineering.
  • Nitrogen Cycle Catalysts: Developing cost-effective, non-precious catalysts for sustainable ammonia synthesis through mechanistic insights into N≡N bond activation, using Density Functional Theory (DFT) and thermodynamic/kinetic modeling.
  • Water Cycle Catalysts: Engineering high-performance electrocatalysts for OER/ORR in water-splitting and fuel cell systems, with a focus on activity–stability trade-offs, spin-state tuning, and support–catalyst interactions.

My computational toolbox includes VASP, CP2K, LAMMPS, and Python-based automation workflows, supporting scalable and reproducible catalyst discovery pipelines across multiple reaction environments.

Year Citation
2025 Cheng, J., Chen, L., Zhang, Y., Wang, M., Zheng, Z., Jiang, L., . . . Peng, Y. (2025). Metal-organic double layer to stabilize selective multi-carbon electrosynthesis. Nature Communications, 16(1), 3743-1-3743-15.
DOI Scopus8 WoS8 Europe PMC3
2023 Ran, J., Chen, L., Wang, D., Talebian Kiakalaieh, A., Jiao, Y., Adel Hamza, M., . . . Qiao, S. (2023). Atomic-Level Regulated Two-Dimensional ReSe₂ : A Universal Platform Boosting Photocatalysis. Advanced Materials, 35(19), 2210164-1-2210164-13.
DOI Scopus87 WoS87 Europe PMC24
2023 Chen, L., Tang, C., Zheng, Y., Davey, K., & Jiao, Y. (2023). Triple-atom catalysts for one-step N–C–N coupling toward urea
synthesis: A DFT study. Science China Materials, 66(6), 2346-2353.
DOI Scopus29 WoS28
2023 Cheng, J., Chen, L., Xie, X., Feng, K., Sun, H., Qin, Y., . . . Peng, Y. (2023). Proton Shuttling by Polyaniline of High Brønsted Basicity for Improved Electrocatalytic Ethylene Production from CO₂. Angewandte Chemie International Edition, 62(44), 1-11.
DOI Scopus42 WoS41 Europe PMC17
2022 Chen, L., Tang, C., Zheng, Y., Skúlason, E., & Jiao, Y. (2022). C₃ production from CO₂ reduction by concerted *CO trimerization on a single-atom alloy catalyst. Journal of Materials Chemistry A, 10(11), 5998-6006.
DOI Scopus42 WoS43
2022 Zhou, X., Shan, J., Chen, L., Xia, B. Y., Ling, T., Duan, J., . . . Qiao, S. -Z. (2022). Stabilizing Cu²⁺ ions by solid solutions to promote CO₂ electroreduction to methane. Journal of the American Chemical Society, 144(5), 2079-2084.
DOI Scopus391 WoS396 Europe PMC158
2022 Chen, L., Tang, C., Zheng, Y., Ostrikov, K., & Jiao, Y. (2022). Carbene Ligands Enabled C-N Coupling for Methylamine Electrosynthesis: A Computational Study. Energy and Fuels, 36(13), 7213-7218.
DOI Scopus11 WoS10
2022 Yang, B., Chen, L., Xue, S., Sun, H., Feng, K., Chen, Y., . . . Peng, Y. (2022). Electrocatalytic CO₂ reduction to alcohols by modulating the molecular geometry and Cu coordination in bicentric copper complexes. Nature Communications, 13(1), 5122-1-5122-13.
DOI Scopus136 WoS124 Europe PMC53
2022 Shan, J., Ye, C., Zhu, C., Dong, J., Xu, W., Chen, L., . . . Qiao, S. -Z. (2022). Integrating Interactive Noble Metal Single-Atom Catalysts into Transition Metal Oxide Lattices.. Journal of the American Chemical Society, 144(50), 23214-23222.
DOI Scopus103 WoS101 Europe PMC42
2021 Chen, L., Tang, C., Jiao, Y., & Qiao, S. (2021). Anomalous C‐C coupling on under‐coordinated Cu(111) – a case study of Cu nanopyramids for CO2 reduction reaction by molecular modelling. ChemSusChem: chemistry and sustainability, energy and materials, 14(2), 671-678.
DOI Scopus14 WoS15 Europe PMC7
2021 Tang, C., Chen, L., Li, H., Li, L., Jiao, Y., Zheng, Y., . . . Qiao, S. (2021). Tailoring acidic oxygen reduction selectivity on single-atom catalysts via modification of first and second coordination spheres. Journal of the American Chemical Society, 43(20), 4819-4827.
DOI Scopus765 WoS776 Europe PMC300
2021 Chen, L., Tang, C., Davey, K., Zheng, Y., Jiao, Y., & Qiao, S. -Z. (2021). Spatial-confinement induced electroreduction of CO and CO₂ to diols on densely-arrayed Cu nanopyramids. Chemical Science, 23(23), 8086-8087.
DOI Scopus30 WoS31 Europe PMC12
2021 Xiong, L., Zhang, X., Chen, L., Deng, Z., Han, S., Chen, Y., . . . Peng, Y. (2021). Geometric modulation of local CO Flux in Ag@Cu₂ O nanoreactors for steering the CO₂ RR pathway toward high-efficacy methane production. Adv Mater, 33(32), e2101741-1-e2101741-11.
DOI Scopus228 WoS223 Europe PMC72
2021 Sun, H., Chen, L., Xiong, L., Feng, K., Chen, Y., Zhang, X., . . . Peng, Y. (2021). Promoting ethylene production over a wide potential window on Cu crystallites induced and stabilized via current shock and charge delocalization. Nature Communications, 12(1), 6823-1-6823-11.
DOI Scopus111 WoS115 Europe PMC47
2020 Sun, H., Chen, L., Lian, Y., Yang, W., Lin, L., Chen, Y., . . . Qiao, S. (2020). Topotactically Transformed Polygonal Mesopores on Ternary Layered Double Hydroxides Exposing Under‐Coordinated Metal Centers for Accelerated Water Dissociation. Advanced Materials, 32(52), 2006784-1-2006784-9.
DOI Scopus277 WoS275 Europe PMC86
2002 Chen, L., Yang, X., & Si, Y. (2002). Research on the Technological Condition in the Slurry Electrolysis of High-silver Galena Concentrate. Journal of Kunming University of Science and Technology, 38-41.
2002 Chen, L., Yang, X., Si, Y., & Zhang, Y. (2002). Technological Condition in the Slurry Electrolysis of High-silver Galena Concentrate. Transactions of Nonferrous Metals Society of China, 12, 344-348.
2001 Chen, L., Guo, Z., & Yang, X. (2001). Structure and Characteristics of Electrodeposited RE-Ni-W-P-B4C-PTFE Composited Coatings. Transactions of Nonferrous Metals Society of China, 11, 887-890.
2001 Chen, L., & Yang, X. (2001). Preliminary Probe into the Technological Condition in the Slurry Electrolysis of High-silver Galena Concentrate. Journal of Kunming University of Science and Technology, 26(10), 28-31.
2000 Guo, Z., Chen, L., Yang, X., & ZHAI, D. (2000). Studies on properties of electrodeposited RE-Ni-W-P-B4C-PTFE composite coating. Electroplating & Finishing, 19(3), 1-4.
2000 Guo, Z., Chen, L., Yang, X., & ZHAI, D. (2000). Studies on properties of electrodeposited RE-Ni-W-P-B4C-PTFE composite coating. Electroplating & Finishing, 19(3), 1-4.

Year Citation
2009 Chen, L., & Jin, Y. (2009). The Auto-reconditioning Protective Layer on Worn Metal Surface Generated by Internal Oxidation under Serpentine Action. In Proceeding of the 4th World Tribology Congress, WTC2009. kyoto Japan.
2008 Chen, L., Zhao, Y., & Jin, Y. (2008). Preliminary Applications of King's ART Technology in Industry. In Advanced Tribology: Proceedings of CIST2008 $ ITS-IFToMM2008 (pp. 473-474). Beijing.
2002 Chen, L., & Yang, X. (2002). Research on Technological Condition in Slurry Electrolysis of High-silver Galena Concentrate. In Proceedings of the First International Conference on Heavy Nonferrous Metallurgy, ICHNM'2002. Kunming, China.

2020, CHEM ENG 7102 Computation for Material Engineering, as tutor

2021, Master of Engineering Research Project 2021s1, as co-supervisor

2021, Research Project RP210212, as co-supervisor

2022, Master of Engineering Research Project 2022s1, as co-supervisor

2022, CHEM ENG 7102 Computation for Material Engineering, as lecturer

2023, CHEM ENG 7102 Computation for Material Engineering, as lecturer

2024, MAT ENG 7102 Computation for Material Engineering, as lecturer

Date Role Research Topic Program Degree Type Student Load Student Name
2024 Co-Supervisor Data-driven Machine-learning Assisted Design of Electrocatalysts for Green C2 Chemical Production Doctor of Philosophy Doctorate Full Time Mr Zhen Tan
2024 Co-Supervisor Data-driven Machine-learning Assisted Design of Electrocatalysts for Green C2 Chemical Production Doctor of Philosophy Doctorate Full Time Mr Zhen Tan

Date Role Membership Country
2009 - ongoing Member Engineers Australia Australia

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