
Sean Tacey
Postdoctoral Researcher-Chemical Engineering
Sean.Tacey@nrel.gov
303-275-4937
https://orcid.org/0000-0001-7833-6901
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Research Interests
Performing atomic-level modeling of thermo- and electrocatalytic processes for renewable energy production.
Developing detailed mechanisms for reactions occurring on catalyst surfaces.
Using descriptor-based approaches to target improved catalytic materials from first principles.
Studying the adsorption and reaction of surface intermediates under realistic surface coverages at reaction conditions.
Education
Ph.D., Chemical Engineering, University of Wisonsin – Madison, 2019
B.S., Chemical Engineering, Florida State University, 2014
Professional Experience
Postdoctoral Researcher, NREL, 2020–present
Featured Work
The Role of Iron-Oxide Aerosols and Sunlight in the Atmospheric Reduction of Hg(II) Species: A DFT+U Study," Applied Catalysis B: Environmental (2018)
"Quantum Chemical Calculations to Determine Partitioning Coefficients for HgCl2 on Iron-Oxide Aerosols," Science of the Total Environment (2018)
"Heterogeneous Reduction Pathways for Hg(II) Species on Dry Aerosols: A First-Principles Computational Study," The Journal of Physical Chemistry A (2016)