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American Institute of Physics, The Journal of Chemical Physics, 3(146), p. 034705

DOI: 10.1063/1.4974085

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

Journal article published in 2017 by Jun-Jie Zhang, Shuai Dong
This paper is available in a repository.
This paper is available in a repository.

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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. ; Comment: 6 pages, 6 figures