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Issue 26, 2017
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Thermal stability and thermal conductivity of phosphorene in phosphorene/graphene van der Waals heterostructures

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Abstract

Phosphorene, a new two-dimensional (2D) semiconducting material, has attracted tremendous attention recently. However, its structural instability under ambient conditions poses a great challenge to its practical applications. A possible solution for this problem is to encapsulate phosphorene with more stable 2D materials, such as graphene, forming van der Waals heterostructures. In this study, using molecular dynamics simulations, we show that the thermal stability of phosphorene in phosphorene/graphene heterostructures can be enhanced significantly. By sandwiching phosphorene between two graphene sheets, its thermally stable temperature is increased by 150 K. We further study the thermal transport properties of phosphorene and find surprisingly that the in-plane thermal conductivity of phosphorene in phosphorene/graphene heterostructures is much higher than that of the free-standing one, with a net increase of 20–60%. This surprising increase in thermal conductivity arises from the increase in phonon group velocity and the extremely strong phonon coupling between phosphorene and the graphene substrate. Our findings have an important meaning for the practical applications of phosphorene in nanodevices.

Graphical abstract: Thermal stability and thermal conductivity of phosphorene in phosphorene/graphene van der Waals heterostructures

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Publication details

The article was received on 19 Apr 2017, accepted on 06 Jun 2017 and first published on 06 Jun 2017


Article type: Paper
DOI: 10.1039/C7CP02553J
Citation: Phys. Chem. Chem. Phys., 2017,19, 17180-17186
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    Thermal stability and thermal conductivity of phosphorene in phosphorene/graphene van der Waals heterostructures

    Q. Pei, X. Zhang, Z. Ding, Y. Zhang and Y. Zhang, Phys. Chem. Chem. Phys., 2017, 19, 17180
    DOI: 10.1039/C7CP02553J

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