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Reactivity and Migration of Hydrogen in A-SI:H
Published online by Cambridge University Press: 15 February 2011
Abstract
Tight-binding molecular dynamics calculations reveal a new mechanism for hydrogen diffusion in hydrogenated amorphous silicon. Hydrogen diffuses through the network by successively bonding with nearby silicon and breaking their Si-Si bonds. The diffusing hydrogen carries with it a newly created dangling bond. These intermediate transporting states are densely populated in the network and have lower energies than H at the center of stretched Si-Si bonds.
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- Copyright © Materials Research Society 1997
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