This paper focuses on developing an efficient fuel storage and release method for hydrogen using lithium hydride hydrolysis for use in PEM fuel cells for low power sensor network modules over long durations. Lithium hydride has high hydrogen storage density and achieves up to 95e100% yield. It is shown to extract water vapor freely from the air to generate hydrogen and has a theoretical fuel sp...

The mechanisms involved in enzymatic hydride transfer have been studied for years, but questions remain due, in part, to the difficulty of probing the effects of protein motion and hydrogen tunneling. In this study, we use transition path sampling (TPS) with normal mode centroid molecular dynamics (CMD) to calculate the barrier to hydride transfer in yeast alcohol dehydrogenase (YADH) and human...

A comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions is presented. Herein, hydride and hydrogen atom transfer refer to reactions in which the electrons and protons transfer between the same donor and acceptor, while proton-coupled electron transfer (PCET) refers to reactions in which the electrons and protons transfer between different centers. Within these def...

The kinetics and thermodynamics for the reversible hydrogen desorption from NaH (and NaH derived from NaAlH4) are greatly improved by nanosizing and providing close contact to a porous carbon matrix.

Neutral organic electron donors, featuring pyridinylidene-imidazolylidene, pyridinylidene-benzimidazolylidene and imidazolylidene-benzimidazolylidene linkages are reported. The pyridinylidene-benzimidazolylidene and imidazolylidene-benzimidazolylidene hybrid systems were designed to be the first super electron donors to convert iodoarenes to aryl radicals at room temperature, and indeed both sh...

On-line solid phase extraction (SPE) based on  nano adsorbent for pre-concentration of inorganic arsenic in water and waste water samples was developed prior to determine by hydride generation atomic absorption spectrometry (HG-AAS). By hydride generation simulation system (HGSS), the  inorganic arsenic in liquid samples changed to hydride form and pass through nano platinum multi wall carbon n...

A systematic high-pressure study on LiAlH4 and NaAlH4 has been carried out using density-functional total-energy calculations. From the theoretical simulations, it is found that both LiAlH4 and NaAlH4 are subject to structural phase transitions at high pressure. α-LiAlH4 transforms to β-LiAlH4 (α-NaAlH4–type structure) at 2.6 GPa with a huge volume collapse of ca. 22 % (according to equilibrium...

Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...

Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...