DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: from standalone molecules to self-assembled-monolayers

•Adsorption energy of carboxylic acids (CA) depends on the headgroup–surface and lateral interchain interactions.•Headgroup–surface interaction is largely independent on the alkyl chain size.•Lateral interchain cohesion is proportional to the number of C atoms in the chain.•Adsorption is stabilized by about 1 eV at full monolayer coverage as passing from CA-2 to CA-18.•CAs with longer alkyl chains cover the surface more effectively due to molecular tilting.