Process simulation of hydrogen intercalation in epitaxial graphene on SiC(0001)
作者： Ioannis Deretzis , Antonino La Magna
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摘要: We study the intercalation steps for epitaxial graphene exposed to a hydrogen-rich gaseous ambient with aid of event-driven kinetic Monte Carlo (KMC) simulations. appropriately formulate an ab initio calibrated KMC algorithm that generates evolvement system dynamics. discuss stages leading formation intercalated layer and stability resulting structure against process parameters. moreover investigate dependence timeline respect concentration defects at surface prior intercalation. Results complement experiment could serve as guidelines future works on SiC.. Schematic representation showing early-stage H atoms interface between buffer SiC(0001).
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