Chemisorption of barrelene on Si(100) from first principles calculations
Article Abstract:
Two chemisorptions configurations for BRL on Si(100) appear to be both energetically and kinetically favored and these structures are characterized by the formation of four Si-C bonds and are energetically favored at all the surface coverages investigated. The several possible reaction pathways, leading from one stable structure to another of lower energy or from a molecule in the gas phase to a chemisorbed configuration are investigated and estimates of the relative energy barriers are given.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Evolution of the adsorbed water layer structure on silicon oxide at room temperature
Article Abstract:
The molecular configuration of water adsorbed on a hydrophilic silicon oxide surface at room temperature is determined as a function of relative humidity, using attenuated total reflection (ATR)-infrared spectroscopy. It is observed that the outermost layer of the adsorbed water molecules undergoes transitions in equilibrium behavior as humidity varies.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Terahertz time-domain spectroscopy study of silica aerogels and adsorbed molecular vapors
Article Abstract:
The terahertz time-domain spectroscopy (THz-TDS) study of hydrophobic and hydrophilic silica aerogels, and the adsorption of several molecular vapors in the hydrophilic silica aerogel are reported. It was found that the hydrophobic and hydrophilic samples have similar but discernible indices of refraction in the frequency range of 0.2-3.0 THz.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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