Effect of hydrogen on ground state structures of small silicon clusters

Abstract

We present results for ground state structures of small SinH (2≤n ≤10) clusters using the Car-Parrinello molecular dynamics. In particular, we focus on how the addition of a hydrogen atom affects the ground state geometry, total energy and the first excited electronic level gap of an Sin cluster. We discuss the nature of bonding of hydrogen in these… (More)

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Cite this paper

@inproceedings{Balamurugan2008EffectOH, title={Effect of hydrogen on ground state structures of small silicon clusters}, author={Dhayalan Balamurugan}, year={2008} }