Tailoring the subshell and electronic structure of an atomically precise AuAg alloy nanocluster

Abstract

Manipulating the atomic-level structure of the subshell of a nanocluster while preserving the inner and outer shell structure is challenging. We present the synthesis and molecular structure of an alkynyl-protected Au34Ag27 nanocluster, which exhibits distinct third shell atomic arrangement, electronic structure, and optical properties from those of the Au34Ag28 nanocluster. We synthesized and characterized an alkynyl-protected Au34Ag27 nanocluster, revealing a metallic core subshell structural difference with one missing Ag atom compared to Au34Ag28. This leads to modulated electronic structure and optical properties.