Superconductivity of monolayer Mo$_2$C: the key role of functional groups

TL;DR

This study predicts that monolayer Mo$_2$C can exhibit superconductivity influenced by surface functional groups, with bromine absorption notably enhancing its electron-phonon interaction, making Mo$_2$CBr$_2$ a promising nanoscale superconductor.

Contribution

It demonstrates the significant impact of functional groups on the superconducting properties of monolayer Mo$_2$C, especially highlighting bromine's role in enhancing electron-phonon interactions.

Findings

Monolayer Mo$_2$C is predicted to be a quasi-two-dimensional superconductor.

Chalcogen adsorption suppresses superconductivity.

Bromine absorption greatly enhances electron-phonon interaction, suggesting Mo$_2$CBr$_2$ as a potential superconductor.

Abstract

Monolayer Mo$_2$C is a new member of two-dimensional materials. Here the electronic structure and lattice dynamics of monolayer Mo$_2$C are calculated. According to the electron-phonon interaction, it is predicted that monolayer Mo$_2$C could be a quasi-two-dimensional superconductor and the effects of functional-groups are crucially important considering its unsaturated surface. Despite the suppressed superconductivity by chalcogen adsorption, our most interesting prediction is that the electron-phonon interaction of monolayer Mo$_2$C can be greatly enhanced by bromine absorbtion, suggesting that Mo$_2$CBr$_2$ as a good candidate for nanoscale superconductor.