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Shows optimal thiol surface density influences gold nanocrystal growth, suggesting enhanced material designs for various applications.
corresponding to a free energy of -5.8 kcal/mol. This optimal condition balances interfacial stabilization and steric effects, thereby facilitating efficient nucleation at the functionalized interface. Structural analyses revealed that cetyltrimethylammonium bromide/oleylamine (CTAB/OLA) micelles deform and reorganize near the surface to promote favorable gold-thiol interactions. This study provides molecular-level insights into the influence of thiol surface density on interfacial energetics, thereby offering design guidelines for optimizing functionalized surfaces for energy applications, sensors, and catalysis.
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Vishwakarma et al. (2026) studied this question.
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