Localized surface plasmon resonances in a hybrid structure consisting of a mono-layered Al sheet and Ti 3 C 2 F MXene.

MXenes are a novel class of two-dimensional materials that exhibit unique light-matter interactions. In this work, using quantum-mechanical simulations based on the time dependent density functional theory, we investigate the electronic and optical properties of a hybrid structure consisting of a mono-layered aluminum (Al) sheet and Ti 3 C 2 F MXene. As a key result of this work, we reveal that the coupling of a mono-layered Al sheet on top of Ti 3 C 2 F MXene causes interlayer charge transfer accompanied by strong signatures of localized surface plasmon resonances (LSPRs) in the visible region of the electromagnetic spectrum. Our theoretical findings demonstrate a promising strategy to generate LSPRs in MXene-based heterostructures.