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The adsorption and decomposition of ethanethiol on GaN (0001) surface have been investigated with first-principles calculations. The DFT calculations reveal that ethanethiol adsorbs dissociatively on the clean GaN (0001) surface to form ethanethiolate and hydrogen species. An up limit coverage of 0.33 for ethanethiolate monolayer on GaN (0001) surface is obtained and the position of the sulfur atom...
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