Connectivity of Hybrid Polymer by Tight Binding Approximation: Example of (Si(CH3)2)
n
(OSiO)
p
(OH)
q |
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| Authors: | N Olivi-Tran S Calas P Etienne |
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| Institution: | (1) S.P.C.T.S., UMR-CNRS 6638, Universite de Limoges, 47 Avenue Albert Thomas, 87065 Limoges Cedex, France;(2) G.E.S., UMR-CNRS 5650, Universite Montpellier II, Case Courrier 074, Place Eugene Bataillon, 34095 Montpellier Cedex 05, France |
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| Abstract: | We computed by a tight binding calculation taking into account hybridization, the total electronic energy of different connectivities
(amorphous, fractal and linear) of (Si−(CH3)2)
n
−(OSiO)
p
(OH)
q
. We found that the total electronic energy of the amorphous connectivity was the smallest as a function of the number of
atoms contained by the hybrid polymer. As the total electronic energy is linked to the stability, we may say that the connectivity
of such hybrid polymer has the highest stability for the amorphous connectivity. |
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| Keywords: | |
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