Hydrogen reservoirs, an ab-initio study on saline hydrides based on Li/Be-H compounds

Abstract

Research into new materials to be used as hydrogen reservoirs is necessary, the increasing demand of energy in the world should be covered progressively by clean energies, trying not to pollute the environment. With this work we wish to contribute to the knowledge of the different saline hydrides and the possibility of using these as hydrogen reservoirs. We performed a systematic study on these materials. In this work we used different ab-initio codes to study several compounds of lithium and beryllium with hydrogen.