Summary
Overview
Work History
Education
Skills
Publications
Academic Conference
Accomplishments
Timeline
Generic

Shuhao Li

Oakleigh East,VIC

Summary

I am a highly skilled professional in the field of catalysis, specializing in deNOx and CO2 reduction, with extensive experience in experimental and theoretical calculations, including DFT calculations. I am also involved in an ARC project focused on Fe corrosion.

My expertise lies in catalyst performance tests and characterization techniques, such as BET, XRD, XPS, SEM, TEM (SAED), H2-TPR, TPD, in-situ DRIFTS, and more. I am proficient in XANES analysis and EXAFS fitting, having presided over a three-day XAS experiment at the Australian Synchrotron (AS) as a spokesperson.

In addition, I have a deep understanding of DFT calculations using VASP, including structure optimizations, adsorption energy calculations, and calculations for ELF, PDOS, Bader Charge, d-band centre, VCDD map, and other related areas.

Overall, I am a researcher with strong independent research capabilities, proficient in both experimental and theoretical computational skills. I excel in teamwork, providing insights and theoretical calculation guidance for other projects

Overview

4
4
years of professional experience

Work History

Visiting PhD Student

CSIRO
Clayton, VIC
03.2022 - 10.2023
  • Independently conducted literature research and reviews according to the research direction, identified the research gaps, and accordingly determined the topics and experimental schemes. The conducted research was in two directions: stability study of NH3-SCR catalysts and CO2 photocatalytic reduction study.
  • Set up the SCR testing reactor and the CO2 photocatalytic reduction rig for catalytic activity testing.
  • Collaborated with colleagues at CSIRO and other departments for the characterization and analysis of catalysts, including experiments and analyses like SEM, XRD, ICP, N2 adsorption-desorption, and H2-TPR tests.
  • Responsible for routine maintenance and training for some instruments like N2 adsorption-desorption and H2-TPR, involving discussion and training with users.
  • As a spokesperson, drafted proposal and obtained 72 hours of beamtime at the Australian Synchrotron. Organized a 6-person team including members from CSIRO, Swinburne University of Technology, and Monash University, successfully completing experiments. This involved multiple independent experimental plan discussions and preliminary tests with beamline scientists.
  • Analyzed experimental and characterization results, wrote, and published papers.

PhD Student

Swinburne University of Technology
Hawthorn, VIC
12.2021 - Current
  • Leveraged Swinburne's supercomputing resources to independently performed DFT theoretical calculations to validate experimental results. Capable of independently performing DFT calculations, followed by visualization and analysis of the results.
  • Collaborated with multiple other experimental projects, providing DFT calculations and post-processing analysis, thus assisting in validating their experimental conclusions. Demonstrated a good understanding of different subject directions and communication skills with relevant researchers.
  • Participated in the ACR project: "Breaking the Deadlock in Steel Corrosion Research for Preventing Catastrophes Due to Collapses of Corroded Infrastructure", conducted DFT calculations to analyzed the effects of H2O and O2 on the corrosion rate of Fe.
  • In the ARC project, reviewed various computational methods (including DFT calculations, molecular dynamics, numerical calculations, AI models, etc.) to ensure the use of appropriate methods at a certain length scale and time scale, and completed a review article.

PhD Student

Hebei University of Technology (China)
Tianjin, China
09.2019 - Current
  • Independently conducted topic analysis, mainly focusing on experimental research in the CO-SCR direction, and independently set up an activity test system for CO-SCR reaction.
  • Operated various characterization instruments for catalyst result characterization and was responsible for laboratory instrument management. This involved instrument usage allocation, routine maintenance, repair, and training.
  • Guided newcomers in topic selection, experimental scheme design, data analysis, and instrument training.
  • Provided DFT calculation guidance and analysis assistance for students and researchers in similar research areas.
  • Other laboratory works.

Education

Ph.D. - Computing Science

Swinburne University of Technology
Melbourne

M. E.& Ph.D. - Environmental Catalysis

Hebei University of Technology
China

Skills

  • Literature Review: Capable of conducting comprehensive literature reviews, identifying research gaps, and determining research directions based on existing literature
  • Experimental Design and Execution: Skilled in designing experiments, setting up experimental rigs, and conducting activity tests
  • Catalyst Characterization: Proficient in experimental operations and analysis of conventional catalyst characterization methods, including XRD, BET, SEM/TEM/HRTEM, XPS, in situ DRIFTS, TPR, etc
  • Advanced Characterization Techniques: Experienced in synchrotron XAS experiments and post-processing techniques such as XANES analysis/EXAFS fitting Proficient with Athena, Artemis, and Larch software
  • DFT Theoretical Calculations: Competent in performing calculations such as adsorption energy, ELF, differential charge, Bader charge, density of states, transition states, electrostatic potential, AIMD molecular dynamics Capable of participating in, understanding, and providing DFT calculation guidance for various project directions
  • Data Visualization and Manuscript Writing: Extensive experience in data visualization and manuscript writing for publication

Publications

1. S. Li, F. Wang, D. Ng, Q. Shi, T.J. Raeber, S. James, B. Shen, Z. Xie, A facile MnSO4 surface coated NiMnFeOxcatalyst with enhanced SO2 resistance for SCR reaction: A dual-protection mechanism, Applied Catalysis B: Environmental, 2024, 342:23441. (IF:22.1, Q1)

2. S. Li, F. Wang, D. Ng, B. Shen, Z. Xie, Stability challenges and prospects for the industrial application of non‐noble catalysts for selective catalytic reduction of NOx by CO (CO‐SCR), ChemCatChem, 2023, e202301246. (IF:4.5, Q2)

3. S. Li, F. Wang, Z. Xie, D. Ng, B. Shen, A novel core-shell structured Fe@CeO2-ZIF-8 catalyst for the reduction of NO by CO, Journal of Catalysis, 2023, 421:240-251. (IF:7.3, Q1)

4. S. Li, Z. Hao, H. Shen, F. Wang, Z. Xie, B. Shen, F. Lu, Characteristics comparison of gaseous and particle-phase VOCs released by smoldering mosquito coils and their health risks, Atmospheric Pollution Research, 2023:101811. (IF:4.5, Q2)

5. S. Li, X. Chen, F. Wang, Z. Xie, Z. Hao, L. Liu, B. Shen, Promotion effect of Ni doping on the oxygen resistance property of Fe/CeO2 catalyst for CO-SCR reaction: Activity test and mechanism investigation, Journal of Hazardous Materials, 2022, 431:128622. (IF:13.6, Q1)

6. Q. Shi, P. Gao, B. Shen, X. Zhang, S. Li, H. Lyu, S. Liu, D. Kang, C. Zhang, Boosting SO2‑tolerant oxidation of Hg0 and chlorobenzene over MnCo2O4@TiO2catalyst via constructing shielding effects, Separation and Purification Technology, 2024, 332:125845. (IF: 8.6, Q1)

7. Q. Shi, B. Shen, X. Zhang, H. Lyu, J. Wang, S. Li, D. Kang, Insights into synergistic oxidation mechanism of Hg0 and chlorobenzene over MnCo2O4 microsphere with oxygen vacancy and acidic site, Journal of Hazardous Materials, 2023, 443:130179.(IF: 13.6, Q1)

8. K. Yao, X. Zhang, B. Shen, Q. Shi, S. Li, F. Shen, Thiol-grafted MnOx/TiO2as a dual-site adsorbent for removal of Hg0 from simulated coal-fired flue gas, Fuel, 2023, 353:129235. (IF:7.4, Q1)

9. F. Lu, S. Li, B. Shen, J. Zhang, L. Liu, X. Shen, R. Zhao, The emission characteristic of VOCs and the toxicity of BTEX from different mosquito-repellent incenses, Journal of hazardous materials, 2020, 384:121428. (IF: 13.6, Q1)

Academic Conference

1. Royal Australian Chemical Institute National Congress (RACI) 2022, Brisbane, July 3-8, 2022. (Poster Presentation).

2. 11th international membrane science & technology conference (IMSTC), Melbourne, December 4-8, 2022. (Session Host).

3. Victorian Inorganic Chemistry Symposium, Melbourne, November 25, 2022. (Oral Presentation).

4. Q2XAFS symposium for the IUCr Congress, Melbourne, November 25, 2022. ((Poster Presentation)

5. X-ray Spectroscopy Multiplet Calculations Symposium, Australia Synchrotron, June 30, 2022 (Invited User).

Accomplishments

  • International Union of Crystallography (IUCr) Young and Early Career Scientist Awards (2023).
  • CSIRO Institute Scholarship (2023) / CSIRO non-cash reward (2022).
  • Swinburne University of Technology Tuition Fee Scholarship (TFS, 2022) / ARC Project Scholarship (2023).
  • Hebei University of Technology First-Class Graduate Student Academic Scholarship (2019/2020/2021).
  • National University Student English Competition of China, Category A, Third Prize (2019).

Timeline

Visiting PhD Student

CSIRO
03.2022 - 10.2023

PhD Student

Swinburne University of Technology
12.2021 - Current

PhD Student

Hebei University of Technology (China)
09.2019 - Current

Ph.D. - Computing Science

Swinburne University of Technology

M. E.& Ph.D. - Environmental Catalysis

Hebei University of Technology
Shuhao Li