Experimental and theoretical studies of the electronic spectra of mixed framework phosphates of Zr and Co
Article Abstract:
The first-principle time-dependent density functional theory (TDDFT) method was applied for modeling of the full electronic spectrum of cobalt cations in the matrix of framework zirconium phosphates and their precursors-amorphous sols. The approach used in this work, in prediction of the spectral features, agrees with the traditional concepts and experience in analysis of the electronic spectra of transition metal cations in their complexes and inorganic frameworks.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Role of Co-W interaction in the selective growth of single walled carbon nanotubes form CO disproportionation
Article Abstract:
The Co-W catalytic system for single walled nanotube production is explained. A detailed picture of the structure of the catalyst is given which helps to explain the variations in selecting the single walled nanotubes.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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