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Issue 16, 2016
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Carbon phosphide monolayers with superior carrier mobility

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Two dimensional (2D) materials with a finite band gap and high carrier mobility are sought after materials from both fundamental and technological perspectives. In this paper, we present the results based on the particle swarm optimization method and density functional theory which predict three geometrically different phases of the carbon phosphide (CP) monolayer consisting of sp2 hybridized C atoms and sp3 hybridized P atoms in hexagonal networks. Two of the phases, referred to as α-CP and β-CP with puckered or buckled surfaces are semiconducting with highly anisotropic electronic and mechanical properties. More remarkably, they have the lightest electrons and holes among the known 2D semiconductors, yielding superior carrier mobility. The γ-CP has a distorted hexagonal network and exhibits a semi-metallic behavior with Dirac cones. These theoretical findings suggest that the binary CP monolayer is a yet unexplored 2D material holding great promise for applications in high-performance electronics and optoelectronics.

Graphical abstract: Carbon phosphide monolayers with superior carrier mobility

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Article information

19 Jan 2016
24 Mar 2016
First published
24 Mar 2016

Nanoscale, 2016,8, 8819-8825
Article type

Carbon phosphide monolayers with superior carrier mobility

G. Wang, R. Pandey and S. P. Karna, Nanoscale, 2016, 8, 8819
DOI: 10.1039/C6NR00498A

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