We study both the rare gas hydride anions, RG-H(-) (RG = He-Rn) and Group 2 (Group IIa) metal hydride anions, MIIaH(-) (MIIa = Be-Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be-He comp...

In the present work, health risk of heavy metals such as As, Cd, Co, Cr, Cu, Hg, Ni, Pb, Zn in Iranian urban and rural samples including wheat, wheat flour, bread, pasta and sweets were assessed. The real amount of heavy metals in target samples were determined by inductively coupled plasma-atomic emission spectrometry (ICP-AES) and atomic absorption spectroscopy (AAS). Wet ashing and hydride g...

This second part of a two-part study presents a transient, three-dimensional numerical model for a highpressure metal hydride (HPMH) hydrogen storage system that is cooled by a coiled-tube heat exchanger. The model uses the same geometry examined in the first part of the study and its predictions are compared to experimental results also discussed in the first part. The model involves solving c...

Positions and anisotropic thermal motion of H-Atoms bound to heavy atoms in transition-metal hydride complexes were successfully refined using Hirshfeld Atom Refinement (HAR) against low resolution X-ray diffraction data.

Nickel-metal hydride batteries (Ni-MH) are storers of electrochemical energy, which have a higher specific storage capacity than lead or nickel-cadmium batteries. The demand for Nickel-metal hydride batteries is increasing rapidly since their market launch in the early 1990's. Today there is no suitable and sustainable recycling process to recover nickel, cobalt and rare-earth metals. The disca...

Hydrogen desorption properties of mechanically milled materials composed of nano-structural hydrogenated-graphite (CHx) and alkali(-earth) metal hydride (MH; M = Na, Mg and Ca) were investigated from the thermodynamic and structural points of view. The hydrogen desorption temperature for all the CHx and MH composites was obviously lower than that of the corresponding each hydride. In addition, ...

The molecular mechanism of H(2) activation by two transition metal thiolate complexes [Cp*M(PMe(3))(SDmp)](BAr(F)(4)) (M = Ir, Rh) (Ohki, Y; Sakamoto, M; Tatsumi, K. J. Am. Chem. Soc., 2008, 130, 11610-11611) has been investigated using density functional theory calculations. According to our calculations, the reaction of the iridium thiolate complex with H(2) is likely to proceed through the f...

Hydrogen is one of the energy carriers that has started to play a significant role in clean transition. In hydrogen ecosystem, storing safely and with high volumetric density plays key role. this regard, metal hydride storage seems be superior compressed gas storage, which most common method used today. However, thermal management challenge needs considered. Temperature changes occur during cha...