Post Doctorate Research Associate
Physical Biosciences Team
Post Doctorate Research Associate
Physical Biosciences Team

Biography

Peter Rice obtained a PhD in theoretical and computational chemistry from the Queen's University of Belfast (2020) under the supervision of Prof. Peijun Hu. In March 2020, he moved to Pacific Northwest National Laboratory (PNNL) as a postdoctoral research associate to work with Dr. Simone Raugei in the Center for Molecular Electrocatalysis—an Energy Frontier Research Center. Currently, he is a computational scientist in the Physical and Computational Sciences Directorate at PNNL. His research focusses on studying mesoscale processes to drive the design of efficient platforms for hydrogen and renewable energy storage applications. Specifically, his work focuses on characterizing how hydrogen interacts with carbon sorbent materials and how the double layer regulates the rate and selectivity of catalytic pathways in the bulk and interfacial regions at solid-liquid interfaces. The computational tools developed are vital for the interpretation of experimental observations and to guide new experimental directions.

Research Interest

  • Artificial Intelligence/Machine Learning
  • Catalysis Science
  • Density Functional Theory
  • Electrocatalysis
  • Electrochemistry
  • Hydrogen Storage
  • Interfaces
  • Materials Simulation
  • Molecular Dynamics
  • Reaction Mechanisms
  • Redox Flow Batteries
  • Solid State Chemistry
  • Theoretical & Computational Chemistry

Disciplines and Skills

  • Catalysis Science
  • Catalytic Reactions
  • Density Functional Theory
  • Electrocatalysis
  • Electrochemistry
  • Interfaces
  • Materials Simulation
  • Molecular Dynamics
  • Solid State Chemistry
  • Theoretical and Computational Chemistry

Education

  • PhD in Theoretical Chemistry, Queen’s University Belfast
  • MS in Chemistry/Biology, Queen’s University Belfast

Publications

2024

  • Nambafu G.S., A.M. Hollas, S. Zhang, P.S. Rice, D. Boglaienko, J.L. Fulton, and M. Li, et al. 2024. "Phosphonate-based iron complex for a cost-effective and long cycling aqueous iron redox flow battery." Nature Communications 15. PNNL-SA-191088. doi:10.1038/s41467-024-45862-3
  • Rice P.S., B.L. Schwartz, G.A. Lee, S. Autrey, and B. Ginovska. 2024. "Leveraging Curvature on N-Doped Carbon Materials for Hydrogen Storage." Carbon. PNNL-SA-191964. doi:10.1002/smll.202310162

2022

  • Hutchison P., P.S. Rice, R.E. Warburton, S. Raugei, and S. Hammes-Schiffer. 2022. "Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe-N-C Materials." Journal of the American Chemical Society 144, no. 36:16524–16534. PNNL-SA-173730. doi:10.1021/jacs.2c05779
  • Kuo D., P.S. Rice, S. Raugei, and B.M. Cossairt. 2022. "Charge Transfer in Metallocene Intercalated Transition Metal Dichalcogenides." Journal of Physical Chemistry C 126, no. 32:13994–14002. PNNL-SA-173038. doi:10.1021/acs.jpcc.2c03927

2021

  • Murphy I.A., P.S. Rice, M. Monahan, L. Porter-Zasada, E.M. Miller, S. Raugei, and B.M. Cossairt. 2021. "Covalent Functionalization of Nickel Phosphide Nanocrystals with Aryl-Diazonium Salts."Chemistry of Materials 33, no. 24:9652-9665. PNNL-SA-164359. doi:10.1021/acs.chemmater.1c03255