منابع مشابه
Adsorption of Hydrogen on a Nickel (100) Surface
The adsorption of hydrogen on a clean Ni(100) single crystal surface was studied in UHV between 120 K and 500 K means of LEED, thermal desorption spectroscopy and work function measurements. H2 chemisorption occurs in two atomic states ßi and ßz with maximum desorption rates (at saturation) at 318 K and 348 K. The activation energy for desorption was determined to be 20 ( ± 2) kcal/mole for the...
متن کاملTheoretical study of hydrogen adsorption on the GaN(0001) surface
Ab initio density functional theory, using the B3LYP hybrid functional with all-electron basis sets, has been applied to the adsorption of H on the (0001) surface of wurtzite GaN. For bulk GaN, good agreement is obtained with photoemission and X-ray emission data for the valence band and for the Ga 3d and N 2s shallow core levels. A band gap of Eg = 4.14 eV is computed vs the experimental value...
متن کاملQuantum Theoretical studies of Nanostructures onto Hydrogen Adsorption on V-surface
We have studied the adsorption processes of H2 on the V (100) surface of Vanadium using self consistent field theory.Dissociative adsorptions of H2 are significantly favored compared to molecular adsorptions. There is a significant charge transfer from the first layer of the vanadium surface to the Hydrogen atoms. Three possible adsorption sites, top, bridge and center site, were considered in ...
متن کاملHydrogen Adsorption on Activated Carbon
The adsorption of hydrogen on carbon nanotubes and activated carbons has generated considerable interest in relation to hydrogen storage for fuel cells applications[1-3]. However, the widespread use of hydrogen as a fuel is limited by the lack of a convenient and cost-effective method of hydrogen storage. Adsorption of supercritical hydrogen is limited by the low interaction energy between hydr...
متن کاملSurface and subsurface hydrogen: adsorption properties on transition metals and near-surface alloys.
Periodic, self-consistent DFT-GGA calculations are used to study the thermochemical properties of both surface and subsurface atomic hydrogen on a variety of pure metals and near-surface alloys (NSAs). For surface hydrogen on pure metals, calculated site preferences, adsorption geometries, vibrational frequencies, and binding energies are reported and are found to be in good agreement with avai...
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ژورنال
عنوان ژورنال: Open Physics
سال: 2009
ISSN: 2391-5471
DOI: 10.2478/s11534-009-0014-z