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A mathematical model of atomic layer deposition of alumina is developed using a TMA + H2O ALDoperation as a physical base. The model coherently bridges the process dynamics of ALD reactor withthe detailed surface chemical kinetics, where the time-dependent variations of surface species aremodeled during each precursor pulse. The model is validated by the experimental data. Upon thevalidation, continuous ALD cycling operation is simulated under different operating conditions. Resultsshow that temperature rising can reduce the surface reaction time in two half cycles, and meanwhileintensify the desorption rate of precursors and backward surface reactions. Suitably increasing thesystem pressure can improve the completion of surface reactions and film formation in the cycling.The sensitivity analysis shows that surface species variations of |–OH, |–Al(CH3)2 and |–Al(CH3)2 havedifferent degree of sensitivities to the surface reaction steps, and reveals the rate-limiting steps in twoprecursor treatment cycles.
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