Structural, electronic, and vibrational properties of the Ti-O-Ti quantum wires in the titanosilicate ETS-10
Article Abstract:
In this discussion the periodic ab initio calculations on the electronic and vibrational properties of the ETS-10 system are presented. Unlike previous models the positive counterions have been considered, so all of the electrons that are expected to be present from stoichiometry of the real material have been considered.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
Comment about this article or add new information about this topic:
Controlled grafting of well-defined polymers on hydrogen-terminated silicon substrates by surface-initiated atom transfer radical polymerization
Article Abstract:
Controlled grafting of well-defined polymer brushes on the hydrogen-terminated silicon substrates is investigated. Kinetic studies revealed that there is a linear increase in polymer film thickness with reaction time indicating that chain growth from the surface was a controlled process with a 'living' characteristic.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
User Contributions:
Comment about this article or add new information about this topic:
Electronic state of radical anions on poly(methyl-n-propylsilane) studied by low temperature pulse radiolysis
Article Abstract:
The effect of Si skeleton structures of poly(methyl-n-propylsilane) (PMPrS) on the electron delocalization is studied in polar liquid matrices by the low-temperature pulse radiolysis technique over a wide range of temperatures.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Yields and migration distances of reducing equivalents in the radiolysis of silica nanoparticles. Magnetic modification of the external surfaces in the MCM-41 porous silica: synthesis, characterization and functionalization
- Abstracts: Local structure and electronic properties of the rhombohedral and orthorhombic colossally magneteresistive manganites La1-xNaxMnO3 by Mn-K edge EXAFS and XANES
- Abstracts: Ordered micro/mesoporous composite prepared as thin films. Structural, chemical and electronic properties of Pt/Ni thin film electrodes for methanol electrooxidation
- Abstracts: Gas diffusion and microstructural properties of ordered mesoporous silica fibers. Interaction between metallic p orbitals and the (pie) orbitals of organic molecules: the binding between ethylene and aluminum
- Abstracts: Effect of protein environment of pK(sub a) shifts in the active site of photoactive yellow protein. Study of the opsin shift of bacteriorhodopsin: Insight from QM/MM calculations with electronic polarization effects of the protein environment