A number of known catalysts, which have been proven to be very effective for several hydrogen species, were studied in order to determine their effects on the hydrogen ab/desorption properties of KSiH3. Among all the catalysts used in this work, mesoporous Nb2O5 is found to be quite effective, with a reduction in activation energy from 142 kJ mol(-1) for pristine KSi to 63 kJ mol(-1) for mesopo...

Nanoelectrochemical approaches were used to investigate adsorption/desorption of hydrogen on Pt electrodes. These processes, which have been extensively studied over the last century, remain of current interest because of their applications in energy storage systems. The effective surface area of a nanoelectrode was found to be much larger than its geometric surface area due to surface diffusio...

Using first-principles calculations, we study the effect of transition-metal additives (Ti, Fe, Co, and Ni) on the rate of hydrogen desorption in MgH2. The presence of large concentrations of transition-metal impurities causes the Fermi level to shift according to the position of the transition-metal acceptor/donor levels in the band gap. This shift can lower the formation energy of native defe...

The present paper aims to investigate the role of open metal site metal-organic frameworks (MOFs) on hydrogen adsorptivity using periodic boundary condition (PBC) density functional theory (DFT). Hence, MIL-47-M (M = V and Fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. Four different chemical sites were identified in every cluster sect...

Platinum particles were grown directly by an electrodeposition process on electrochemically treated carbon paper (CP) for kinetic study of carbon monoxide (CO) desorption. The treatment on CP was performed by applying −2 V for cathodic oxidation over 5 min. Treated CP was characterized by FTIR to investigate the oxygen groups on its surface. CO surface coverage at each temperature was determine...

the present paper aims to investigate the role of open metal site metal-organic frameworks (mofs) on hydrogen adsorptivity using periodic boundary condition (pbc) density functional theory (dft). hence, mil-47-m (m = v and fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. four different chemical sites were identified in every cluster sect...

Zr-based metallic glasses and quasicrystals were electrochemically charged with hydrogen. Hydrogen absorption/ desorption as well as the in ̄uence of hydrogen on the formation and stability of quasicrystals were studied by means of X-ray di€raction, electron microscopy, di€erential scanning calorimetry (DSC) and thermal desorption analysis (TDA). In Zr69:5Cu12Ni11Al7:5 absorption kinetics and st...