Reactions of hydrazoic acid on TiO(sub 2) nanoparticles: An experimental and computational study

Article Abstract:

The adsorption and reaction of HN(sub 3) on TiO(sub 2) nanoparticle films are experimentally studied by FTIR spectroscopy, monitoring the effects of dosage, UV irradiation and heating. The objective of this study lies in clarifying the mechanism of the HN(sub 3) adsorption and reactions of TiO(sub 2) under similar conditions employed in InN organometallic chemical vapor deposition process.

Titanium compounds, Inorganic acids, Chemical vapor deposition, Chemical properties, Chemical vapour deposition

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Adsorption and reaction of C2N2 on Si(100)-2 x 1: A computational study with single-and double-dimer cluster models

Article Abstract:

The adsorption and decomposition of C2N2 on the Si(100) - 2 x 1 surface have been calculated by the hybrid density functional B3LYP method with Si9H12 and Si15H16 single- and double-dimer models, respectively. The predicted result for adsorption of two C2N2 based on both surface models indicates a significant decrease in the adsorption energy for the second C2N2 molecule.

Chemistry, Physical and theoretical, Physical chemistry, Adsorption, Decomposition (Chemistry), Dimer acids

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