Reactor scale simulations of ALD and ALE: Ideal and non-ideal self-limited processes in a cylindrical and a 300 mm wafer cross-flow reactor

We have developed a simulation tool to model self-limited processes such as atomic layer deposition (ALD) and etching inside reactors of arbitrary geometry well the output in situ quartz crystal microbalance mass spectrometry. applied this two standard types cross-flow reactors: cylindrical tube reactor 300 mm wafer reactor, explored both ideal nonideal kinetics. The results are agreement with experimental analytic expressions obtained using simple plug-flow for reactor. also extended simulations consider processes: soft-saturating characterized by slow reaction pathway where surface by-products can compete precursor same pool adsorption sites. Our show that it is possible process saturated yet inhomogeneous growth profiles due competition by-products. This observations titanium dioxide ALD from tetraisopropoxide tetrachloride precursors.