Ag@Mg₁₂@Ag₂₀: a three-layer matryoshka structure with <i>S</i> ₆ symmetry.

ABSTRACT: The C₆₀ fullerene, renowned for its soccer ball-like high-symmetry configuration, has attracted extensive interest. As research on C₆₀ progresses, the synthesis of diverse C₆₀ derivatives and the exploration of embedding varying numbers of atoms within the carbon cage, ranging from singular atoms to entire molecules, have emerged. This trend has prompted investigations into potential high-symmetry structures formed by incorporating main group or transition metal elements. This study presents a detailed analysis of a three-layer Ag@Mg₁₂@Ag₂₀ structure, featuring a Mg₁₂ icosahedron enclosed within an Ag₂₀ dodecahedron with a singular Ag atom at its core. Employing density-functional theory, the structure underwent c

SUBMITTER: Liu PB 

PROVIDER: S-EPMC11539621 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature