Carbon clusters on substrate surface for graphene growth- theoretical and experimental approach

SCIENTIFIC REPORTS(2022)

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摘要
Growth morphology of carbon clusters deposited on different substrates were investigated by theoretical and experimental approach. For theoretical approach, molecular dynamics was employed to evaluate an adsorptive stability of different size of carbon clusters placed on different substrates. The adsorptive stability was estimated by the difference of total energy of supercell designed as carbon cluster placed on a certain crystal plane of substrate. Among the simulations of this study, carbon cluster flatly settled down on the surface of SrTiO _3 (001). The result was experimentally verified with layer by layer growth of graphene by pulsed laser deposition in carbon dioxide atmosphere. The absorptive stability can be useful reference for screening substrate for any target material other than graphene.
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关键词
Computational methods,Surface chemistry,Synthesis of graphene,Science,Humanities and Social Sciences,multidisciplinary
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