Issue 42, 2018

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 those of graphene–MoS2 in-plane heterojunctions and chemically-bonded graphene-metal heterojunctions. Moreover, the ITC of armchair heterojunctions abnormally increases with tensile strain, while the zigzag heterojunctions simply follow the normal trend. To gain an in-depth understanding of these interesting observations, we further analyze the atomic topology and phonon vibrational spectrum and examine the nonlinear interfacial coupling in the heat transport, ITC anisotropy, and temperature effect on the ITC. Our findings suggest that phonon anharmonicity plays a critical role in the thermal transport behavior of two-dimensional in-plane heterojunctions.

Graphical abstract: Design of phosphorene/graphene heterojunctions for high and tunable interfacial thermal conductance

Supplementary files

Article information

Article type
Paper
Submitted
30 Jul 2018
Accepted
28 Sep 2018
First published
28 Sep 2018

Nanoscale, 2018,10, 19854-19862

Design of phosphorene/graphene heterojunctions for high and tunable interfacial thermal conductance

X. Liu, J. Gao, G. Zhang and Y. Zhang, Nanoscale, 2018, 10, 19854 DOI: 10.1039/C8NR06110F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements