Thermodynamics of hydride formation is one of the key properties of metal-hydrogen system and determines its applicability. Therefore, numerous researches are focused on the use of first-principles calculations as the ...

MgH2 powder samples have been irradiated with 45 key B3+ ions with different ion fluencies ranging from 10(12) to 10(16) ions/cm(2). Irradiation effects have been estimated by SRIM calculations. To characterize induced ...

Tungsten carbide (WC) is in the focus of current research as a suitable electrocatalyst support. Typically, supported monometallic system are investigated, in spite the fact that practice in catalysis shows that multimetallic ...

Hydrogen desorption properties of MgH2 ball milled with two different TiO2 polymorphs, rutile and anatase, were studied. Structural characterization has been done by X-ray diffraction (XRD) analysis, particle size analysis ...

There are several problems which are holding back the use of fuel cells. The utilization of fuel cells depends on the start-up costs which are very high due to the use of expensive materials for their construction. In that ...

Substitutional N to O and M to Ti (M = Pt, V, Sb) codoped rutile TiO2 was investigated using density functional theory (OFT) based calculations with both standard and hybrid exchange-correlation functionals. The band gaps ...

In this work WC-supported metal monolayers (Cu, Ru, Rh, Pd, Ag, Ir, Pt and Au) are investigated using Density Functional Theory in order to establish general trends regarding monolayer stability, electronic structure and ...

This manuscript presents contribution on the improved efficiency of the alkaline electrolytic production of hydrogen by in situ adding activating compounds directly into the electrolyte during the electrolytic process. New ...

The kinetics of hydrogen absorption in Zr alloys containing Nb and Ta admixtures (10 wt% Nb, 12 wt%Ta and 10 wt%Nb and 12 wt%Ta) is addressed. Hydrogen absorption is measured in the temperature range 400-700 degrees C at ...

We present first principles calculations of the electronic structure, enthalpies of formation and electric field gradients in C15 HfV2Hx (x = 1, 2, 3, 4). In C15 Laves phases, hydrogen can occupy three possible interstitial ...