Ab initio calculations have been carried out to investigate the H-atom migration and H2 desorption on the mixed SiGe(100)-2×1 surface using the Si9-xGexH13, Si14GeH19 and Si13Ge2H19 cluster models. The H2 recombinative desorption is the rate-determining step in hydrogen migration and desorption on SiGe(100) surface since the energy barrier of H-atom migration is generally lower than that of H2 ...

The combination of local tetrahedral order and favorable chemical composition makes amorphous and quasicrystalline Zr–Cu–Ni–Al alloys good candidates for hydrogen storage applications. Hydrogen evolution from these alloys has been studied by means of thermal desorption spectroscopy (TDS). The characteristics of hydrogen desorption from an initially quasicrystalline phase are analyzed in detail ...

Mg2NiH4 is a promising hydrogen storage material with fast de hydrogenation kinetics. Its hydrogen desorption enthalpy, however, is too large for practical applications. In this paper we study the effects of transition metal doping by first-principles density functional theory calculations. We show that the hydrogen desorption enthalpy can be reduced by 0.1 eV/H2 if one in eight Ni atoms is rep...

The kinetics of isothermal desorption of hydrogen from InNð000 1Þ have been investigated using surface vibrational spectroscopy. Reductions in intensity of the N–H stretching and bending vibrations in high resolution electron energy loss spectra (HREELS) upon annealing indicated loss of surface hydrogen and was attributed to recombinative desorption. Hydrogen completely desorbs from the InN sur...

The interaction of methanol with a clean <I 10) ruthenium surface has been studied using temperature programmed desorption methods. Methanol dissociates upon adsorption at 300 K and yields Ha(g) and chemisorbed CO as the domiwt products. Randomization of evolved hydrogen was shown to occur during methanol adsorption and also upon subsequent thermal desorption using isotopically labeled methanol...

Pd−Au bimetallic catalysts have shown promising performance in numerous reactions that involve hydrogen. Fundamental studies of hydrogen interactions with Pd−Au surfaces could provide useful insights into the reaction mechanisms over Pd−Au catalysts, which may, in turn, guide future catalyst design. In this study, the interactions of hydrogen (i.e., adsorption, absorption, diffusion, and desorp...

Reduced the temperature for the LiNH2 to Li2NH transition from 120C to 50C via mechanical activation. This reduction paves the way for near-room-temperature hydrogen sorption and desorption of the LiNH2 + LiH system. Enhanced hydrogen sorption and desorption rates of the LiNH2 + LiH system at and below 200 C via mechanical activation. Identified the dehydriding behavior and issues associated wi...

X-ray diffraction showed that an La7.0Mg75.5Ni17.5 alloy prepared via inductive melting was composed of an La2Mg17 phase, an LaMg2Ni phase, and an Mg2Ni phase. After the first hydrogen absorption/desorption process, the phases of the alloy turned into an La–H phase, an Mg phase, and an Mg2Ni phase. The enthalpy and entropy derived from the van’t Hoff equation for hydriding were −42.30 kJ·mol−1 ...

Hydrogen sorption/desorption signals observed on cyclic voltammograms in experiments on hydrogen electrosorption into Pd-noble metal alloys (Pd-Au, Pd-Pt, Pd-Rh, Pd-Ru, Pd-Pt-Rh, Pd-Pt-Au) were characterized. The influence of electrosorption potential, scan rate and alloy bulk composition on the features of the hydrogen peaks was investigated. The experimental results were compared with those o...