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Structure and Charge States of the Selected Hydrogenated Silicon Clusters Si2-Si8 by Non-Conventional Tight-Binding Method

By A.P. Mukhtarov, A.B. Normurodov, N.T. Sulaymonov, F.T. Umarova and Sh. Makhkamov


Structures of SinHm clusters in neutral, positive and double positive charge states have been calculated by nonconventional tight-binding method and molecular dynamics. An influence of the charge state and the termination by hydrogen of dangling bonds on cluster structures those are obtained as a result of chemical vapor precipitation in silane, is considered for the first time. Fully hydrogenated clusters have tetrahedral branched structures. Other isomers have forms of closed circles

Topics: Nanosilicon, Tight-binding method, Charged silicon clusters, Hydrogenated nanoparticles
Publisher: 'Sumy State University'
Year: 2016
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