Extensive research has been carried on the molecular adsorption in high surface area materials such as carbonaceous and MOFs well atomic bonded hydrogen metals alloys. Clathrates stand among ones to be recently suggested for storage. Although, simulations predict lower capacity than expected by DOE norms, additional benefits of clathrates low production operational cost, fully reversible reacti...

This project aims to develop new porous hydrogen storage materials which utilize molecular chemisorption of hydrogen rather than mere physisorption, and ultimately do this in low weight hybrid materials. Stronger binding of hydrogen should result in greater capacity and lower operating pressures at room temperature. These studies should lead to the design and synthesis of hydrogen storage mater...

We propose new isoreticular metal-organic framework (IRMOF) materials to increase the hydrogen storage capacity at room temperature. Based on the potential-energy surface of hydrogen molecules on IRMOF linkers and the interaction energy between hydrogen molecules, we estimate the saturation value of hydrogen sorption capacity at room temperature. We discuss design criteria and propose new IRMOF...

The basic understanding of hydrogen molecular interaction with the solid surface is one of the important criterions to design the hydrogen storage materials. Such understanding at the molecular scale can only be achieved by employing appropriate electronic structure methods. Accordingly, the present article reports the theoretical work carried out in our laboratory for designing the hydrogen st...

In addressing the global demand for clean and renewable energy, hydrogen stands out as the most suitable candidate for many fuel applications that require practical and efficient storage of hydrogen. Supplementary to the traditional hydrogen storage methods and materials, the high-pressure technique has emerged as a novel and unique approach to developing new potential hydrogen storage material...