Cycloaddition reactions of 1-pyrazoline on the Si(100) 2x1 surface: a possible route to an Si=N interfacial double bond

Article Abstract:

Multiconfigurational wave functions and density functional methods are adopted to study the potential energy surface along the possible surface reaction mechanisms of 1- pyrazoline on the Si(100) 2 x 1 surface in the pursuit of new interfacial chemical bonds. Initially a Si-N single bonded product is formed without any reaction barrier due to the strong Lewis base of nitrogen lone pair electrons.

Chemical bonds

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Adsorption reactions of dimethylaluminum isopropoxide and water on the H/Si(100)-2 x 1 surface: Initial reactions for atomic layer deposition of Al2O3

Article Abstract:

The surface reaction pathways of dimethylaluminum isopropoxide (DMAI) and water with the H/Si(100)-2 x 1 surface are theoretically investigated. The oxygen in DMAI participates in various parts of potential energy surfaces and it facilitates the initial approach of DMAI to the surface and allows the propane loss reaction and ring closing reaction to occur.

Industrial inorganic chemicals, not elsewhere classified, Aluminum Compounds, Water, Surface chemistry, Chemical properties

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Study of porous silicon nanostructures as hydrogen reservoirs

Article Abstract:

The amount of hydrogen present in porous silicon (PS) nanostructures is analyzed in detail. Concentration of atomic hydrogen chemically bound to the specific surface of PS is quantitatively evaluated by means of attenuated total reflection infrared spectroscopy and temperature-programmed desorption spectroscopy.

Nanotechnology, Reflectance spectroscopy, Properties

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