Effect of hydrogen on the microstructure evolution of nanocrystalline silicon

Details Effect of hydrogen on the microstructure evolution of nanocrystalline silicon Effect of hydrogen on the microstructure evolution of nanocrystalline silicon

2010-11-11

arxiv.org/abs/1011.2606v2

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

submitted for publication

Scientific paper

We investigated the effect of dissolved hydrogen on the microstructure evolution of nanocrystalline silicon. Through molecular dynamics simulations we characterize the local and overall structural features of several hydrogenated samples by the quantitative calculation of their crystallinity. We prove that hydrogen incorporation is detrimental for the recrystallization and accumulates at grain boundaries, thus increasing their effective area. We further observe the formation of silicon hydrogen complexes at very high hydrogen concentration.

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