Jump to main content
Jump to site search


Design of Phosphorene/Graphene Heterojunctions for High and Tunable Interfacial Thermal Conductance

Abstract

Using density functional theory calculations and molecular dynamics simulations, we systematically explore various possible atomic structures of phosphorene/graphene in-plane heterojunctions and their effects on interfacial thermal conductance (ITC). Unlike the remarkable orientation-dependence of thermal conductivity in pure phosphorene, the ITC is much less orientation-dependent. In addition, the ITC is found to be high, comparable to that of graphene-MoS2 in-plane heterojunction and chemically-bonded graphene-metal heterojunctions. Moreover, the ITC of the armchair heterojunction abnormally increases with tensile strain, while the zigzag heterojunctions simply follow the normal trend. To gain in-depth understandings on these interesting observations, we further analyze atomic topology and phonon vibrational spectrum and examine the nonlinear interfacial coupling in the heat transport, ITC anisotropy, and temperature effect on ITC. Our findings suggest that phonon anharmonicity plays a critical role in the thermal transport behavior of two-dimensional in-plane heterojunctions.

Back to tab navigation

Supplementary files

Publication details

The article was received on 30 Jul 2018, accepted on 28 Sep 2018 and first published on 28 Sep 2018


Article type: Paper
DOI: 10.1039/C8NR06110F
Citation: Nanoscale, 2018, Accepted Manuscript
  •   Request permissions

    Design of Phosphorene/Graphene Heterojunctions for High and Tunable Interfacial Thermal Conductance

    X. Liu, J. Gao, G. Zhang and Y. Zhang, Nanoscale, 2018, Accepted Manuscript , DOI: 10.1039/C8NR06110F

Search articles by author

Spotlight

Advertisements