Novel Perhydrides for Hydrogen Storage

摘要

Perhydrides are hypothetical novel materials. They are defined as materials that contain more hydrogen atoms in their molecules than conventional hydrides do based on the valence. Hydrogen is a versatile element that is able to form various chemical bonds with other elements. In addition to the common ionic bonds and covalent bonds, a hydrogen atom is able to form inter- and intra-molecular bonds (hydrogen bonds) with other atoms or atom groups that have already been chemically saturated. In addition, a hydrogen atom can also form an electron deficient hydrogen bridge bond (one pair of electrons are shared by two or more atoms). Based on the versatile bonding capability of hydrogen, the authors proposed novel molecular models for perhydrides. Recent observations on polymeric hydrogen ion clusters support the potential of the existence of perhydrides. These perhydrides could be promising materials for high-efficiency hydrogen storage applications.