The interaction of hydrogen with the Pt(110)-(1×2) surface is studied using temperature programmed desorption (TPD) measurements and density functional theory (DFT) calculations. The ridges in this surface resemble edges between micro-facets of Pt nano-particle catalysts used for hydrogen evolution (HER) and hydrogen oxidation reactions (HOR). The binding energy and activation energy for desorp...

Electrical generation from hydrogen, the element with higher energy density per unit mass, requires appropriated materials that can be used in its storage [1]. Palladium, with a high capacity to dissociate, absorb and desorb gaseous hydrogen, has been widely used for hydrogen storage [2], in separation membranes [3] and catalytic hydrogenation [4]. The present DFT calculations on clusters model...

Unique physical properties such as small effective mass, high electron drift velocities, high electron mobility and small band gap energy make InN a candidate for applications in highspeed microelectronic and optoelectronic devices. The aim of this research is to understand the surface properties, desorption kinetics and thermal stability of InN epilayers that affect the growth processes and de...

Project Scope Our goal is to develop a multiscale approach to model desorption and adsorption of hydrogen in complex metal hydrides. In this initial stage of the project, we started by using density-functional-theory quantum chemical calculations to study the structure of complex metal hydrides and the interactions of hydrogen with the metal atoms in these hydrides. We analyzed the crystal stru...

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 and b); were studied and 2h-nqccs were calcu...

An in situ thermal desorption study of solvated aluminum hydride (alane) by transmission electron microscopy and selected area diffraction has permitted characterisation of the structural and morphological changes during desorption of solvent and hydrogen in real-time; this powerful technique for studying hydrogen storage materials complements several others already employed.

The desorption yields of excited hydrogen atoms from the surfaces of KCl, KBr, NaCl, NaF, and LiF have been measured as a function of incident photon and electron energy and flux, time of irradiation, dosing pressure of H2 and sample temperature. As these surfaces are exposed to H2 gas during electron or photon bombardment, the fluorescence from excited hydrogen atoms ejected from the surface i...

A drastic deformation was observed in Pd metal of various shapes after hydrogen absorption and desorption cycles at 150 degrees C at a gas pressure of 1-5 MPa. All of the phenomena observed indicate that some strong internal force is induced spontaneously during hydrogen absorption/desorption cycles to produce a collective deformation so as to minimize the surface.

The susceptibility to hydrogen absorption and hydrogen thermal desorption of titanium alloys has been investigated in a neutral 2.0% NaF solution at 37 C under various applied cathodic potentials. Ti-0.2Pd, Ti-6Al-4V and Ti-11.3Mo-6.6Zr-4.3Sn alloys absorb hydrogen under less noble potentials than 1:5V, 1:9V and 1:4V versus a saturated calomel electrode, respectively. The amounts of absorbed hy...

The atomistic structure of the tip apex plays a crucial role in performing reliable atomic-scale surface and adsorbate manipulation using scanning probe techniques. We have developed an automated extraction routine for controlled removal of single hydrogen atoms from the H:Si(100) surface. The set of atomic extraction protocols detect a variety of desorption events during scanning tunneling mic...