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We investigated the effect of dissolved hydrogen on the microstructureevolution of nanocrystalline silicon. Through molecular dynamics simulations wecharacterize the local and overall structural features of several hydrogenatedsamples by the quantitative calculation of their crystallinity. We prove thathydrogen incorporation is detrimental for the recrystallization and accumulatesat grain boundaries, thus increasing their effective area. We further observethe formation of silicon hydrogen complexes at very high hydrogenconcentration.

Effect of hydrogen on the microstructure evolution of nanocrystalline silicon