An Ab initio Study on Designing Hydrogen Storage Materials for Mobile Applications

Abstract

newline As the world gradually runs out of non-renewable energy resources and increasing global warming due to the burning of fossil fuels, the use of renewable energy is likely to increase. Since renewable energies such as solar, wind, etc., are intermittent nature, alternative energy development is seen as an urgent issue. Hydrogen is one of the sustainable energy carriers due to its high efficiency, abundance, and non-pollution. Storing hydrogen safely and efficiently is a significant challenge to the practical usage of hydrogen energy. Hydrogen storage in solid materials is cost-effective and safer than conventional storage methods such as gaseous or liquid hydrogen storage. But, the major drawbacks of solid-state materials for hydrogen storage are low gravimetric/volumetric H2 density, poor sorption kinetics, high decomposition temperature, and less cyclic reversibility. So this thesis mainly aims at enhancing the hydrogen storage properties of alkaline-earth hydrides as well as carbon nitride-based nonmaterial to overcome some of the above drawbacks