Motivated by the theoretical prediction of superconductivity in the ${\mathrm{Cu}}_3{\left(\mathrm{CS}\right)}_6$ monolayer and the successful experimental realization of its analogous oxygen counterpart ${\mathrm{Cu}}_3{\left(\mathrm{CO}\right)}_6$ monolayer [X. Zhang et al., Nano Lett. 17, 6166 (2017); R. Zhang et al., Angew. Chem. 132, 2691 (2020); N. Shaiek et al., Adv. Mater. Interfaces 9, 2201099 (2022)], we present a comprehensive theoretical investigation of phonons and the electron-phonon coupling mechanism in the ${\mathrm{Cu}}_3{\left(\mathrm{CO}\right)}_6$ monolayer. Our first-principles calculations reveal that this well-defined two-dimensional metal-organic framework (2D-MOF) is a superconductor with a critical temperature of 16.5 K. This robust superconductivity is driven by a strong electron-phonon coupling ($\lambda =0.72$), predominantly contributed by the strong interaction between low-energy phonons (dominated by Cu and O atoms) and electronic states (formed by Cu $d_{xy,x^2-y^2}$ and O $s+p_{x,y}$ orbitals) near the Fermi level. Furthermore, we find that ${\mathrm{Cu}}_3{\left(\mathrm{CO}\right)}_6$ monolayer exhibits a Bardeen-Cooper-Schrieffer superconducting state characterized by a single anisotropic gap. Our findings in 2D-MOFs highlight the great potential for exploring superconductivity in this promising class of materials.

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• Electron-phonon coupling
• Fermi surface
• First-principles calculations
• Multiband superconductivity
• Nesting
• Superconductivity
• Superconductors
• Van Hove singularity
• 2-dimensional systems
• Kagome metal
• Eliashberg theory