Hao Li Junior Principal Investigator, Ph.D.
| Job | Associate Professor and Junior Principal Investigator, AIMR |
|---|---|
| Group | Mathematical Science Group |
| Laboratory | Li Lab |
| Address | Room 4A, AIMR Main Building, Katahira Campus (2-1-1, Katahira, Aoba-ku, Sendai 980-8577) |
| li.hao.b8@tohoku.ac.jp | |
| Related Site |
Research Interests
- Catalysis and materials theory
- Data science for materials design
- Computational methodology development based upon artificial intelligence
- "e-Refinery” for sustainable production
Main Publication List
- Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces, Nature Catalysis 4 (2021) 463-468, H. Li, S. Kelly, D. Guevarrac, Z. Wang, Y. Wang, J. A. Haber, M. Anand, G. Gunasooriya, C. S. Abraham, S. Vijay, J. M. Gregoire, and J. K. Nørskov
- Design of a Pd-Au nitrite reduction catalyst by identifying and optimizing active ensembles, ACS Catalysis 9 (2019) 7957-7966, H. Li, S. Guo, K. Shin, M. S. Wong, and G. Henkelman
- Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces, Journal of Chemical Physics, 149 (2018) 174705, H. Li, K. Shin, and G. Henkelman
- CuxIr1-x nanoalloy catalysts achieve near 100% selectivity for aqueous nitrite reduction to NH3, ACS Catalysis 10 (2020) 7915-7921, H. Li, C. Yan, H. Guo, K. Shin, S. M. Humphrey, C. J. Werth, and G. Henkelman
- Understanding trends in ethylene epoxidation on group IB metals, ACS Catalysis, 11 (2021) 12052-12057, H. Li, A. Cao, and J. K. Nørskov
Award
- Surface Science Young Investigator, ACS Spring Meeting (2022)
- Top 2% of the World’s Most Highly Cited Scientists, by Elsevier and Stanford University (2021)
- AIChE Best Fundamental Paper Award, by American Institute of Chemical Engineers (AIChE) (2020)
- Top 10 Outstanding Reviewer of Chemical Communications, by Royal Society of Chemistry (2020)
- Emerging Investigators in Materials Chemistry, by Royal Society of Chemistry (2019)
Related Information
- 01/13/2023 Press Releases Theoretical Computations Identify a Solid-State Hydrogen Storage Material’s Key Bottleneck