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Transient Mean-Field Reaction-Diffusion Model Applied to Hydrogen Evolution From Hydrogenated Amorphous Silicon

Published online by Cambridge University Press:  15 February 2011

A. J. Franzi,
M. Mavrikakis,
J. W. Schwank and
J. L. Gland
A. J. Franzi
Affiliation:
Depts. of Chem. Engineering, University of Michigan, Ann Arbor, MI 48105
M. Mavrikakis
Affiliation:
Depts. of Chem. Engineering, University of Michigan, Ann Arbor, MI 48105
J. W. Schwank
Affiliation:
Depts. of Chem. Engineering, University of Michigan, Ann Arbor, MI 48105
J. L. Gland
Affiliation:
Depts. of Chem. Engineering, University of Michigan, Ann Arbor, MI 48105Chemistryl, University of Michigan, Ann Arbor, MI 48105
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Abstract

Hydrogen bulk mobility plays an important role in determining a wide range of materials and electronic properties of hydrogenated amorphous silicon (a-Si:H). The existence of two types of hydrogen traps plays an important role in controlling hydrogen mobility in, and evolution of hydrogen from a-Si:H, however, theoretical and experimental literature values for the trap energetics vary considerably. We have developed a mean-field reaction-diffusion model which explicitly includes two trap states and realistic surface processes to model hydrogen evolution from a-Si:H. Modern numerical techniques were required to solve this challenging problem over the wide range of temperatures and concentrations encountered in typical hydrogen evolution experiments. The model is based on a number of experimentally established parameters. Comparison of our rigorous model with temperature programmed hydrogen evolution experiments provides a powerful method for characterizing the energetics, trap concentrations and diffusivity of hydrogen in a-Si:H.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 377: Symposium A – Amorphous Silicon Technology 1995 , 1995, 325
Copyright
Copyright © Materials Research Society 1995

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References

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