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N-Graphdiyne as a Tunable Platform for Stabilizing Light Metals toward High-Capacity Reversible Hydrogen Storage
Wael Othman, Ibrahim Alghoul, K-F. Aguey-Zinsou5 +2
Hydrogen (H2) is a promising carbon-neutral energy carrier. However, its deployment is limited by the lack of lightweight, reversible storage media that operate under practical con…
Defect-Engineered Beryllium Dinitride (BeN2) Monolayer with Light-Metal Decoration for Reversible High-Capacity Hydrogen Storage
Wael Othman, Ibrahim Alghoul, K-F. Aguey-Zinsou +2
Hydrogen (H2) possesses the highest gravimetric energy density of any chemical fuel and is the most abundant element in the universe. However, its extremely low volumetric energy d…
Pentagonal PdTe2 Monolayer for Sustainable Solar-driven Hydrogen Production
Narender Kumar, Shambhu Bhandari, Dario Alfè +2
This investigation demonstrates that the pentagonal PdTe (penta-PdTe) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by a bandgap of 1.87~e…
Vacancy-Induced Boron Nitride Monolayers as Multifunctional Materials for Metal Ion Batteries and Hydrogen Storage Applications
Wadha Alfalasi, Wael Othman, Tanveer Hussain +1
This study comprehensively examined the structural, electronic, electrochemical, and energy storage properties of boron-vacancy induced porous boron nitride monolayers (BN:VB) as m…
Light-Metal Functionalized Boron Monoxide Monolayers as Efficient Hydrogen Storage Material: Insights from DFT Simulations
Wael Othman, Wadha Al Falasi, Tanveer Hussain +1
Exceptionally high energy density by mass, natural abundance, widespread applications, and environmental friendliness make hydrogen (H2) a front-runner among clean energy options.…