Thermal transport in phosphorene and phosphorene-based materials: A review on numerical studies

Yang Hong, Jingchao Zhang, Xiao Cheng Zeng

Research output: Contribution to journalReview articlepeer-review

15 Scopus citations


The recently discovered two-dimensional (2D) layered material phosphorene has attracted considerable interest as a promising p-type semiconducting material. In this article, we review the recent advances in numerical studies of the thermal properties of monolayer phosphorene and phosphorene-based heterostructures. We first briefly review the commonly used first-principles and molecular dynamics (MD) approaches to evaluate the thermal conductivity and interfacial thermal resistance of 2D phosphorene. Principles of different steady-state and transient MD techniques have been elaborated on in detail. Next, we discuss the anisotropic thermal transport of phosphorene in zigzag and armchair chiral directions. Subsequently, the in-plane and cross-plane thermal transport in phosphorene-based heterostructures such as phosphorene/silicon and phosphorene/graphene is summarized. Finally, the numerical research in the field of thermal transport in 2D phosphorene is highlighted along with our perspective of potentials and opportunities of 2D phosphorenes in electronic applications such as photodetectors, field-effect transistors, lithium ion batteries, sodium ion batteries, and thermoelectric devices.

Original languageEnglish (US)
Article number036501
JournalChinese Physics B
Issue number3
StatePublished - Mar 2018


  • first-principles
  • interfacial thermal resistance
  • molecular dynamics
  • thermal conductivity

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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