Dynamic parameter estimation of atomic layer deposition kinetics applied to in situ quartz crystal microbalance diagnostics (original) (raw)

This paper presents the elaboration of an experimentally validated model of a continuous cross-flow atomic layer deposition (ALD) reactor with temporally separated precursor pulsing encoded in the Modelica language. For the experimental validation of the model, in situ quartz crystal microbalance (QCM) diagnostics was used to yield submonolayer resolution of mass deposition resulting from thin film growth of ZnO from Zn(C 2 H 5) 2 and H 2 O precursors. The ZnO ALD reaction intrinsic kinetic mechanism that was developed accounted for the temporal evolution of the equilibrium fractional surface concentrations of precursor adducts and their transition states for each half-reaction. This mechanism was incorporated into a rigorous model of reactor transport, which comprises isothermal compressible equations for the conservation of mass, mo