HYDROGEN STORAGE POTENTIAL OF SOME ALLMETAL AND NON-METAL CLUSTERS: A CONCEPTUAL DFT STUDY

摘要

Hydrogen is considered to be an alternative to the fossil fuels for both energy and environment problems as the former has the highest energy density and it produces water on combustion. However, its storage requires very low temperature and very high pressure. Attempts have been made to generate various molecular motifs which would allow the adsorption of hydrogen with a strength somewhere in between that of physisorption and chemisorption, with high gravimetric amounts at moderate temperature and pressure and also with reasonable adsorption and desorption kinetics. In the present work we analyze some non-metal and metal clusters as potential hydrogen storage material