Probing the energetics of organic-nanoparticle interactions of ethanol on calcite

摘要: Knowing the nature of interactions between small organic molecules and surfaces nanoparticles (NP) is crucial for fundamental understanding natural phenomena engineering processes. Herein, we report direct adsorption enthalpy measurement ethanol on a series calcite nanocrystals, with aim mimicking organic–NP in various environments. The energetics suggests spectrum events as function coverage: strongest initial chemisorption active sites fresh surfaces, followed by major chemical binding to form an monolayer and, subsequently, very weak, near-zero energy, physisorption. These thermochemical observations directly support structure where bonded surface through its polar hydroxyl group, leaving hydrophobic ends interact only weakly next layer adsorbing resulting spatial gap low density subsequent added molecules, predicted molecular dynamics functional calculations. Such ordered assembly NP analogous to, although less strongly than, capping organics intentionally introduced during synthesis, continuous variation depending chemistry, ranging from largely disordered layers that nevertheless are mobile can rearrange or be displaced other immobile layers. differences will affect reactions, including further nucleation growth nanocrystals ligand-capped surfaces.