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Two-Dimensional Zigzag-Shape Cd2C Monolayer with a Desirable Bandgap and High Carrier Mobility

Abstract

By purposive atomic transmutation and extensive density functional calculation, we design and predict a novel zigzag-shape Cd2C monolayer exhibiting distinguished structure and properties. The zigzag-shape structure, buckled with two adjacent rows of atoms shifted oppositely with respect to the plane, is formed by tetracoordinate carbon and bicoordinate cadmium. Unique structure topology and resulting electronic hybridizations render the Cd2C monolayer with robust stability and distinctive electronic properties: it is a natural 2D semiconductor with high and anisotropic acoustic-phonon-limited carrier mobilities (~103—105 cm2V-1s-1); Its fundamental bandgap is moderate ∼1.7 eV and meanwhile can flexibly be tuned in a large rang of more than 1 eV by external strains; Additionally, as the lowest-energy structure of 2D space the monolayer exhibits excellent thermal and kinetic stabilities. These outstanding properties endow the Cd2C monolayer a promising nanomaterial for future electronics applications.

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Publication details

The article was received on 25 Jun 2018, accepted on 30 Jul 2018 and first published on 02 Aug 2018


Article type: Paper
DOI: 10.1039/C8TC03119C
Citation: J. Mater. Chem. C, 2018, Accepted Manuscript
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    Two-Dimensional Zigzag-Shape Cd2C Monolayer with a Desirable Bandgap and High Carrier Mobility

    L. Meng, S. Ni, Y. Zhang, B. Li, X. Zhou and W. Wu, J. Mater. Chem. C, 2018, Accepted Manuscript , DOI: 10.1039/C8TC03119C

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