Ultra-low lattice thermal conductivity of monolayer penta-silicene and penta-germanene

文献情報

出版日 2019-10-30

DOI 10.1039/C9CP05246A

インパクトファクター 3.676

著者

Zhibin Gao, Zhaofu Zhang, Gang Liu, Jian-Sheng Wang

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要旨

We study the lattice thermal conductivity of two-dimensional (2D) pentagonal systems, such as penta-silicene and penta-germanene. Penta-silicene has been recently reported, while the stable penta-germanene, made up of another group IV element, is first revealed by our ab initio calculations. We find that both penta-silicene and penta-germanene at room temperature have ultra-low lattice thermal conductivities, κ, of 1.29 W m−1 K−1 and 0.30 W m−1 K−1, respectively. To the best of our knowledge, penta-germanene may have the lowest κ in 2D crystal materials. We attribute the ultra-low κ to the weak phonon harmonic interaction and strong anharmonic scattering. A small phonon group velocity, a small Debye frequency, a large Grüneisen parameter, and a large number of modes available for phonon–phonon interplay together lead to the ultra-low κ of penta-silicene and penta-germanene. These discoveries provide new insight into the manipulation of ultra-low κ in 2D materials and highlight the potential applications of silicon and germanium based high thermoelectric materials.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Ultra-low lattice thermal conductivity of monolayer penta-silicene and penta-germanene

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