A model-based methodology for the analysis and design of atomic layer deposition processes—Part I: Mechanistic modelling of continuous flow reactors

Dynamic Modeling for the Design and Cyclic Operation of an Atomic Layer Deposition (ALD) Reactor

“…Yet another approach is to use the absolute reaction rate theory and statistical thermodynamics to derive kinetic expressions without the use of adjustable parameters [11]. Furthermore, [37,38] developed a rigorous 2D transport model, which is coupled to a heterogeneous surface reaction model based on estimated kinetic parameters from ex situ film thickness measurements. In this two-part paper series, the researchers examine film growth and thickness uniformity as a function of process operating parameters, reactor system design and gas flow distribution as a guide for future ALD process optimization.…”

Features of oxide layer formation in high-aspect slot structures by means of MOCVD

“…A detailed description of this process requires missing experimental data concerning the local parameters thereof such as the information on the adsorption, the gas phase composition, precursor decomposition mechanism on the surface, etc. The simulation of such processes suggests using a great number of assumptions and experimentally indeterminate parameters [16][17][18][19][20][21][22].…”

“…To date, there are a number of papers that take into account the process of precursor vapor transfer within the framework of continuous models in ALD processes [16][17][18][19][20][21][22]. However, these papers did not consider any models of gas-dynamic processes in structures with a high aspect ratio value.…”

Reaction factorization for the dynamic analysis of atomic layer deposition kinetics

“…ALD also finds use in numerous other applications such as nanostructured self-cleaning surfaces (Ng et al, 2008), protective coatings for spacecraft surfaces (Cooper et al, 2008) and glass displays (Pimenoff, 2012), as well as solid lubricant oxides used in various devices including MEMS (Kim et al, 2009) and automotive components (Doll et al, 2009). ALD modeling work falls into two main categories: empirical methods which require fitting parameters based on experiments (such as Holmqvist et al, 2012Holmqvist et al, , 2013, and first principles (or ab initio) methods which do not. First principles methods allow for the exploration of novel processes, and can provide information about reaction pathways, substrate effects, and precursor decomposition (Elliott, 2012).…”