OU Pengfei (from Sep 2024)

OU Pengfei (from Sep 2024)

Assistant Professor, NUS Presidential Young Professorship

---

Research

ORCID: 0000-0002-3630-0385
ResearcherID: HQY-5669-2023
Google Scholar: https://scholar.google.com/citations?user=RxpZqqgAAAAJ&hl=en

 

Recognition and Achievements

• NUS Presidential Young Professorship, National University of Singapore, 2024
• Climate Positive Energy Postdoctoral Fellowship, University of Toronto, 2021
• Chinese Government Award for Outstanding Self-Financed Students Aboard, China Scholarship Council, 2020
• Graduate Research Excellence Award, McGill University, 2019
• Graduate Research Enhancement and Travel Awards, McGill University, 2018
• Graduate Mobility Award, McGill University, 2018
• Graduate Admission Scholarship, McGill University, 2015

 

Research Interests

• Catalyst design for electrochemical reactions (reaction mechanism, transition states, and reaction thermodynamics and kinetics) using ab initio DFT calculations, cluster expansion, and microkinetic modeling.
• Dynamic simulations (dynamic change of active sites, catalyst degradation) of chemical processes under reaction conditions (applied potential, field/solvation effect) using (ab initio) molecular dynamics simulations and grand canonical DFT.
• Methods development for accelerated catalyst discovery (active learning and Bayesian optimization) using AI4Catalysis, ML, open databases, and data science.

 

Representative Publications

• Ou, P.; Miao, R. K.; Chen, Y.; Xie, K.; Li, X.-Y.; Yu, J.; Sun, S.; Fan, M; Papangelakis, P.; Liu, H.; Chang, Y.; Xia, R.; Zhou, D.; Tian, C.; Huang, W.; Sinton, D.; Sargent, E. H., Catalysts Tolerant to SO₂ for Electrified Carbon Capture and Utilization. Nat. Commun. 2024, under revision.
• Li, X.-Y.; Duan, M.; Ou, P., High-throughput screening of single-atom catalysts confined in monolayer black phosphorus for efficient nitrogen reduction reaction. Nano Res. 2024, 17, 2360−2367.
• Zhao, Y.; Chen, Y.; Ou, P.; Song, J., Basal plane activation via grain boundaries in monolayer MoS₂ for carbon dioxide reduction. ACS Catal. 2023, 13, 12941–12951.
• Chen, Y.; Zhao, Y.; Ou, P.; Song, J., Basal plane activation of two-dimensional transition metal dichalcogenides via alloying for the hydrogen evolution reaction: first-principles calculations and machine learning prediction. J. Mater. Chem. A 2023, 11, 9964–9975.
• Xie, Y.; Ou, P.; Wang, X.; Xu, Z.; Li, Y. C.; Wang, Z.; Huang, J. E.; Wicks, J.; McCallum, C.; Wang, N.; Wang, Y.; Chen, T.; Lo, B. T. W.; Sinton, D.; Yu, J. C.; Wang, Y.; Sargent, E. H., High carbon utilization in CO₂ reduction to multi-carbon products in acidic media. Nat. Catal. 2022, 5, 564–570.
• Wang, X.; Ou, P.; Ozden A.; Hung, S. F.; Tam, J.; Gabardo, C. M.; Howe, J. Y.; Sisler, J.; Bertens, K.; García de Arquer, F. P.; Miao, R. K.; O’Brien, C. P.; Wang, Z.; Abed, J.; Rasouli, A. S.; Sun, M.; Ip, A. H.; Sinton, D.; Sargent, E. H., Efficient electrosynthesis of n-propanol from carbon monoxide using a Ag–Ru–Cu catalyst. Nat. Energy 2022, 7, 170−176.
• Ou, P.; Zhou, X.; Meng, F.; Chen, C; Chen, Y.; Song, J., Single molybdenum center supported on N-doped black phosphorus as an efficient electrocatalyst for nitrogen fixation. Nanoscale, 2019, 11, 13600–13611.