Understanding Hydrogenation Chemistry at MgB2 Reactive Edges from Ab Initio Molecular Dynamics
Author:
Affiliation:
1. Laboratory for Energy Applications for the Future (LEAF), Lawrence Livermore National Laboratory, Livermore, California 94550, United States
2. Sandia National Laboratories, Livermore, California 94551, United States
Funder
Office of Energy Efficiency and Renewable Energy
Fuel Cell Technologies Office
Publisher
American Chemical Society (ACS)
Subject
General Materials Science
Link
https://pubs.acs.org/doi/pdf/10.1021/acsami.1c23524
Reference46 articles.
1. Metal hydride materials for solid hydrogen storage: A review☆
2. Recent progress in magnesium borohydride Mg(BH4)2: Fundamentals and applications for energy storage
3. Hydrogen energy, economy and storage: Review and recommendation
4. Kinetic Enhancement of Direct Hydrogenation of MgB 2 to Mg(BH 4 ) 2 upon Mechanical Milling with THF, MgH 2 , and/or Mg
5. Elucidating the mechanism of MgB2 initial hydrogenation via a combined experimental–theoretical study
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