ArticleJournal of computational chemistry2026
Precursor Design Principles for Area-Selective Atomic Layer Deposition of Alumina: Quantifying the Role of Lewis Acidity, Steric Repulsion, and Dimerization in Surface Adsorption.
Article in Journal of computational chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
In atomic layer deposition (ALD), precursor adsorption plays a critical role in determining growth characteristics. This is particularly important in area-selective ALD (AS-ALD), where adsorption on the non-growth surface (NGS) leads to selectivity loss. In this context, both the ability of a precursor to access reactive surface groups on the NGS and the strength of its binding are key parameters governing the selectivity in experiment. Adsorption on the NGS is strongly influenced by the precursor's substituents, which control Lewis acidity, steric demand, and propensity for dimerization. We applied energy decomposition analysis for extended systems (pEDA) to a set of commonly used aluminum precursors to quantitatively assess how these factors affect adsorption energetics on SiO
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