Methanol chemisorption and reaction on the (111) crystallographic plane of NiAl

Article Abstract:

The chemical reactions of methanol (CH3OH) on the (111) surface of the nickel aluminum (NiAl) alloy in ultrahigh-vacuum condition was studied to distinguish the results with those obtained previously for the NiAl (110) and (100) surfaces. The techniques used were the synchrotron-based photoelectron, X-ray photoelectron and electron energy loss spectroscopies as well as temperature-programmed desorption. Photoelectron and electron energy loss spectroscopies revealed that CH3OH adsorbs molecularly on NiAl(111) at 120 K and that thermal annealing to 150 K formed CH3O(ad).

Usage, Aluminum alloys, X-ray spectroscopy, Photoelectron spectroscopy, Nickel alloys, Nickel-aluminum alloys

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Adsorption and dissociation of methanol on aluminum (100): theoretical analysis of reaction mechanism

Article Abstract:

Analysis of methanol adsorption on aluminum (100) surface using small cluster quantum mechanical measurements and the hybrid Hartree-Fock/density functional theory showed that the preferred site for methoxy chemisorption and adsorption enthalpy can be derived. Methanol favored the two-fold bridge site to the four-fold hollow site. Activation energy for the bridge-adsorbed methoxy showed similarity with experimentally determined results.

Chemical reactions, Dissociation, Dissociation reactions

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Adsorption of methanol on TiO2(110): a first-principles investigation

Article Abstract:

A study was conducted to analyze the adsorption and deprotonation of methanol on the stoichiometric (110) surface of titanium dioxide. First-principles static and dynamic computations based on density functional theory and the pseudopotential technique were utilized to carry out the analysis. Experimental results indicated different adsorption conformations within a narrow energy window for surface coverages of both 0=1 and 0=1/2.

Titanium dioxide

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