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Rees Rankin
CNM Division
Supervisor: Jeffrey Greeley
Summary of Research:
My interests lie in the application of predictive Quantum-Mechanics based simulations utilizing tools such as Density Functional Theory (DFT) to design and optimize materials properties. My current research project is focused around developing a quantitative atomic-scale understanding of generalizable key reaction descriptors for catalytic and electro-chemical reactions relevant to energy applications on TM catalyst materials; examples would include general ORR type relevant reactions as well as reactions schemes such as selective production/inhibition of H2O2 in fuel-cell type environments. The broader-scale goals of this current work involve expanding the aforementioned initial descriptor knowledge to scan over new binary and ternary alloys in conjunction with known and unknown reactions— an in silico materials screening approach. This work is performed as part of a greater Materials-By-Design Workbench Program in the CNM. Additional interests and previous research experiences include studying materials in the following applications areas: asymmetric metal surfaces for chiral selectivity, multi-functional catalyst/sorbents, mixed-metal oxides, solid-state hydrides, and novel nanoporous frameworks for gas-specific interactions.
Contact Information:
Email: rrankin@cnm.anl.gov
Phone number: 630-252-4738
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