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date: 14 April 2021

Abstract and Keywords

This article reviews the theory of hydrogen storage in nanoscale materials. It first describes the concept of hydrogen sorbent and an optimal type of hydrogen-storage material (HSM), in which hydrogen-HSM interaction is much weaker than the internal interactions in the HSMs. It then considers the mechanism of hydrogen-material interaction in terms of bonding between hydrogen and other elements through orbital hybridization, focusing on physisorption, chemisorptions through weak covalent bonds, non-classical dihydrogenbinding, and electrostatic-enhanced binding of H2 in HSMs. It also examines the internal interaction in the hydrogen sorbents as well as the required hydrogen-storageproperties and design principles of hydrogen sorbents.

Keywords: hydrogen storage, nanoscale materials, hydrogen sorbent, hydrogen-storage material, internal interactions, orbital hybridization, physisorption, chemisorption, dihydrogenbinding

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