Experimental and Molecular Modeling Insights on the Thermolytic Dehydrogenation of Amine Boranes with Ionic Liquids and Deep Eutectic Solvents

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The scientific community has identified hydrogen energy as a potential fuel for the foreseeable future. The hunt for hydrogen storage materials capable of storing hydrogen efficiently while remaining compact and lightweight is one of the most difficult tasks facing the emerging hydrogen economy. Using solid chemical hydrides with high gravimetric and volumetric hydrogen densities, it may be possible to overcome the difficulties associated with hydrogen storage. The solid-phase nature of these hydrogen storage devices provides key advantages such as ease of discharge, a greater kinetic, and controlled release of hydrogen equivalents at moderate temperatures.
Supervisors: Banerjee, Tamal and Pugazhenthi, G
Amine Boranes, Ionic Liquids, Deep Eutectic Solvents, DFT