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Putikam Raghunath, Yun-Min Lee, Shang-Ying Wu, Jong-Shinn Wu and Ming-Chang Lin Ab initio chemical kinetics for reactions of H atoms with SiHx (x = 1–3) radicals and related unimolecular decomposition processes International Journal of Quantum Chemistry 113

Version of Record online: 22 FEB 2013 | DOI: 10.1002/qua.24396

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Chemical vapor deposition (CVD) of hydrogenated amorphous silicon thin films is an important process for thin-film solar cells and thin-film transistors. In this work, the mechanisms for the reaction of hydrogen atoms with SiHx radicals (x = 1–3) and related unimolecular decomposition processes are investigated. The rate constants for the forward and unimolecular reactions are predicted by solving the master equation covering the P,T-conditions commonly used in industrial CVD processes.

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