Strain-induced wavy BeN₄ monolayers: unveiling superior hydrogen storage capabilities

Abstract Remarkable enhancement of hydrogen storage capability of lithiumless pristine BeN 4 monolayers is reported by application of inplane strain. 33% growth of gravimetric density is achieved by less than ten percent compressive strain for BeN 4 monolayer. The compressive strain significantly enhanced the hydrogen storage gravimetric density from 13.33 to 17.72 wt%. Thus, a maximum of 17.72 wt% is obtained for lithiumless compounds of BeN 4 . This graphene-like monolayer deform to wavy structure as a result of the applied compressive strain. This deformation significantly raises the capacity of BeN 4 for adsorbing hydrogen molecules.