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- W2078233797 abstract "The adsorption, diffusion, and dissociation of precursor species, MMGa (monomethylgallium) and NH3, on the GaN (0 0 0 1) surface have been investigated using the DFT (density functional theory) calculation combined with a GaN (0 0 0 1) surface cluster model. The energetics of NH3(ad) dissociation on the surface proposed of NH3(ad) via NH2(ad) to NH(ad) was facile with small activation barriers. A combined analysis with surface diffusion of adatoms demonstrated Ga(ad) and NH(ad) become primary reactant species for 2D film growth, and N(ad) develops into a nucleation center. Our studies suggest the control of NH3(ad) dissociation are essential to improve epitaxial film quality as well as Ga-rich condition. In addition, the adsorbability of H(ad)s resulted from NH3(ad) dissociation were found to influence on the surface chemistry during film growth." @default.
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- W2078233797 date "2009-02-01" @default.
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- W2078233797 title "Computational study of adsorption, diffusion, and dissociation of precursor species on the GaN (0001) surface during GaN MOCVD" @default.
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- W2078233797 doi "https://doi.org/10.1016/j.susc.2009.01.008" @default.
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