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Orbitally driven giant thermal conductance associated with abnormal strain dependence in hydrogenated graphene-like borophene
- Source :
- npj Computational Materials, Vol 5, Iss 1, Pp 1-8 (2019)
- Publication Year :
- 2019
- Publisher :
- Nature Publishing Group, 2019.
-
Abstract
- Heat energy in solids is carried by phonons and electrons. However, in most two-dimensional (2D) materials, the contribution from electrons to total thermal conduction is much lower than that for phonons. In this work, through first-principles calculations combined with non-equilibrium Green’s function theory, we studied electron and phonon thermal conductance in recently synthesized 2D hydrogen boride. The hexagonal boron network with bridging hydrogen atoms is suggested to exhibit comparable lattice thermal conductance (4.07 nWK−1 nm−2) as graphene (4.1 nWK−1 nm−2), and similar electron thermal conductance (3.6 nWK−1 nm−2), which is almost ten times that of graphene. As a result, total thermal conductance of 2D hydrogen boride is about two-fold of graphene, being the highest value in all known 2D materials. Moreover, tensile strain along the armchair direction leads to an increase in carrier density, significantly increasing electron thermal conductance. The increase in electron thermal conductance offsets the reduction in phonon thermal conductance, contributing to an abnormal increase in thermal conductance. We demonstrate that the high electron density governs extraordinarily high thermal conductance in 2D hydrogen boride, distinctive among 2D materials.
- Subjects :
- lcsh:Computer software
Materials science
Condensed matter physics
Hydrogen
Phonon
Graphene
chemistry.chemical_element
Electron
Thermal conduction
Computer Science Applications
law.invention
chemistry.chemical_compound
Thermal conductivity
lcsh:QA76.75-76.765
chemistry
Mechanics of Materials
law
Modeling and Simulation
Boride
Borophene
lcsh:TA401-492
General Materials Science
lcsh:Materials of engineering and construction. Mechanics of materials
Subjects
Details
- Language :
- English
- ISSN :
- 20573960
- Volume :
- 5
- Issue :
- 1
- Database :
- OpenAIRE
- Journal :
- npj Computational Materials
- Accession number :
- edsair.doi.dedup.....c37e3ed08a7e068d68cd099d81bfd9e5