Publication Date
2025
Document Type
Thesis
Committee Members
Amir A. Farajian, Ph.D. (Advisor); Raghavan Srinivasan, Ph.D., P.E. (Committee Member); Rachel S. Aga, Ph.D. (Committee Member)
Degree Name
Master of Science in Renewable and Clean Energy Engineering (MSRCE)
Abstract
Hydrogen is considered an emerging carrier of clean energy with renewable capabilities. Widespread hydrogen energy utilization necessitates efficient storage strategies. Functionalized nanomaterials, such as Li-decorated BC3 nanosheets, are among the primary candidate materials for hydrogen storage. This research investigates the feasibility of hydrogen storage by estimating energy barriers and their dependence on storage density on Li-decorated BC3 nanosheet. Density functional theory (DFT) simulations provide estimates of adsorption energies and saddle points for hydrogen storage and compare corresponding reaction rates. The results are expected to help us understand the advantages and possible shortcomings of hydrogen storage on such nanomaterials.
Page Count
78
Department or Program
Department of Mechanical and Materials Engineering
Year Degree Awarded
2025
Copyright
Copyright 2025, all rights reserved. My ETD will be available under the "Fair Use" terms of copyright law.
ORCID ID
0009-0003-2797-5879
