Computational studies of AS-ALD using an inhibitor-based approach creating a inhibitor layer on the NGS and allowing ALD on the GS (Fig. .f) are found in Tab. 1. Similar to the intrinsically selective approach, most studies combine experimental and computational work here. However, there are quite a few more entirely computational studies addressing key questions in inhibitorbased AS-ALD. Adding another chemical species (i.e., the inhibitor) to the ALD process, leads to more diverse research questions being tackled compared to modelling inherently selective AS-ALD. Most studies address the adsorption structure and energetics of the inhibitor on the NGS (RQ 2a in Tab. 1), while a few also look at the inhibitor adsorption on the GS (RQ 2b). The coverage is studied quite often (RQ 2c) in line with this being one of the key factors for selectivity in this AS-ALD approach. Similar attention is paid to the modelling of precursor chemistry (and sometimes also the co-reactant). While this might seem surprising at first, it is a clear indicator of the nowestablished knowledge that only a smart combination of inhibitor and precursor for a given combination of GS and NGS leads to a selective ALD process. Most of these studies analyze the interaction of the precursor with the adsorbed inhibitor (RQ 3a) and often compare it to adsorption on the clean surfaces (RA 1a, 1b). The chemical decomposition processes of the inhibitor layer (RQ 3b-e) have been studied much less but increasingly so in recent years. Thermodynamic as well as kinetic driving forces were investigated in most cases but also for inhibitor-based approaches some studies based their conclusion on thermodynamic driving forces alone. While the investigation of spectroscopic signatures was done in only one study (IR ), there are a few more studies in this research field where ESA was applied, although mostly limited to computing atomic partial charges.