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[Analysis Case] Competitive Adsorption Analysis of SMI and TMA on Cu_C0743

It is possible to evaluate the competitive adsorption of multiple molecules using the focus parameters for film formation (temperature, pressure).

In area-selective atomic layer deposition (AS-ALD), small molecule inhibitors (SMIs) control the surface selectivity of precursor adsorption on the substrate surface. SMIs prevent unwanted deposition on the non-growth surfaces of the substrate and play a crucial role in thin film formation during the deposition process. In this case study, we used the Grand Canonical Monte Carlo (GCMC) method to predict the competitive adsorption amounts of SMIs (aniline, pyridine) and TMA (trimethylaluminum) as single and double molecular species on the Cu(111) surface. This analysis is effective for evaluating adsorption characteristics, including the steric effects of the molecules.