Optimizing the efficiency and cost of catalysts for sustainable energy applications : First-Principles Density Functional Theory studies
Name
1117775352-MIT.pdf
Size
15.83 MB
Format
Adobe PDF
Checksum (MD5)
3beabc2ee723f4e146e229401b3b0760
Author(s)
Liu, Yusu,Ph.D.Massachusetts Institute of Technology.
Advisor(s)
Jeffrey C. Grossman.
Date Issued
2019
Publisher
Massachusetts Institute of Technology
Abstract
In this thesis, I tackled, on two key fronts, the challenge of designing optimal catalysts for a sustainable future built on renewables. On the efficiency front, I studied electrochemical water-splitting, a reaction important for on-demand renewable energy conversion. I presented the electronic origin and feasibility of surface lattice oxygen participation during the kinetic bottleneck of the water-splitting reaction on perovskites with competing reactions, solvent effects and vacancy effects. On the cost reduction front, I provided design guidelines based on electronic structure modifications that employ core-shell nanoparticle architectures to reduce the loading of expensive noble metal catalysts.
Description
Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, 2019
Cataloged from PDF version of thesis.
Includes bibliographical references (pages 113-130).
Subjects
Materials Science and Engineering.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Terms of Use
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