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The fundamental interactions underlying citrate-mediated chemical stability of metal nanoparticles (NPs),<br>and their surface characteristics dictating particle dispersion/aggregation in aqueous solutions, are largely unclear. Here, we used a newly developed theoretical model to estimate the stoichiometry of citrate molecules chemisorbed onto spherical metallic NPs and define the uncovered solvent-accessible surface area of the NP. Then, we exploited two-body free energy calculations anddoi:10.26434/chemrxiv.12174693 fatcat:dua25vji3jasfba4ls2b4ufmwy