Exploring Novel 2D Analogues of Goldene: Electronic, Mechanical, and Optical Properties of Silverene and Copperene.

ABSTRACT: Two-dimensional (2D) materials have garnered significant attention due to their unique properties and broad application potential. Building on the success of goldene, a monolayer lattice of gold atoms, we explore its proposed silver and copper analogues, silverene and copperene, using density functional theory calculations. Our findings reveal that silverene and copperene are energetically stable, with formation energies of -2.3 and -3.1 eV/atom, respectively, closely matching goldene's -2.9 eV/atom. Phonon dispersion and ab initio molecular dynamics simulations confirm their structural and dynamical stability at room temperature, showing no bond breaking or structural reconfiguration. Mechanical analyses indicate isotropy, with Young's moduli of 73, 44, and 59 N/m for goldene, silverene,

SUBMITTER: Dos Santos EJA 

PROVIDER: S-EPMC12223819 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature