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Thermal stability and thermal conductivity of phosphorene in phosphorene/graphene van der Waals heterostructures
Thermal stability and thermal conductivity of phosphorene in phosphorene/graphene van der Waals heterostructures
- Source :
- Physical Chemistry Chemical Physics. 19:17180-17186
- Publication Year :
- 2017
- Publisher :
- Royal Society of Chemistry (RSC), 2017.
-
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.
- Subjects :
- Materials science
Condensed matter physics
Phonon
Graphene
General Physics and Astronomy
Heterojunction
02 engineering and technology
Substrate (electronics)
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
law.invention
Phosphorene
chemistry.chemical_compound
Molecular dynamics
Thermal conductivity
chemistry
law
Thermal stability
Physical and Theoretical Chemistry
0210 nano-technology
Subjects
Details
- ISSN :
- 14639084 and 14639076
- Volume :
- 19
- Database :
- OpenAIRE
- Journal :
- Physical Chemistry Chemical Physics
- Accession number :
- edsair.doi.dedup.....93a4982e9315c096c0814240043c06eb
- Full Text :
- https://doi.org/10.1039/c7cp02553j