Surface Engineering of Bimetallic Nanoclusters: Ligand-Solvent Interplay for Enhanced Charge Transfer and Optical Modulation.

ABSTRACT: Bimetallic nanoclusters (BMNCs) exhibit unique quantum confinement effects and synergistic intermetallic interactions, providing enhanced electronic and optical properties over those of monometallic nanoclusters (MNCs). Their dual-metal composition offers superior tunability for applications in optoelectronics, catalysis, and biomedicine. Among BMNCs, Ag₃Cu₂ was selected for its distinct dual-emission behavior and well-characterized ligand-metal interactions, making it an ideal model for investigating solvent- and ligand-induced modifications. This study employs density functional theory (DFT) to investigate the electronic structures, adsorption behavior, and optical properties of Ag₃Cu₂ modified by triphenylphosphine (PPh₃), glutathio

SUBMITTER: Srikulwong U 

PROVIDER: S-EPMC12224292 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature