NIMTE OpenIR  > 2018专题
First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating
Shao, Hezhu; Jin, Min; Peng, Bo; Zhang, Hao; Tan, Xiaojian; Liu, Guo-Qiang; Jiang, Haochuan; Jiang, Jun
2018
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
Volume122Issue:5Pages:2632-2640
AbstractStructural modification is an important way to manipulate the phonon transport in materials. Here, we demonstrate that Na-intercalating leads to slightly structural modification, but remarkably reduction in the lattice thermal conductivity for MoS2. Such reduction is ascribed to the modification of phonon spectra. By Na-intercalating, the phonon dispersion of MoS2 has two remarkable changes. One is the reduction of phonon frequencies, the other is the increased several quasi-local modes of vibration in the range of moderate frequencies. The reduction of the phonon frequencies enhances largely the anharmonicity of low-frequency phonon-phonon interaction and reduces the phonon lifetime by 1-2 orders of magnitude. And Na-intercalating introduces several quasi-local modes of vibration, which increases the scattering channel of phonon-phonon interaction. We further derive a relation of integrated JDOS and the lattice thermal conductivity and give a predicable model for the manipulation of phonon transport of MoS2.
KeywordThermal-conductivity Crystals Scattering Dynamics Raman Mos2
Subject AreaElectrochemistry
Language英语
Document Type期刊论文
Identifierhttp://ir.nimte.ac.cn/handle/174433/16818
Collection2018专题
Recommended Citation
GB/T 7714
Shao, Hezhu,Jin, Min,Peng, Bo,et al. First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2018,122(5):2632-2640.
APA Shao, Hezhu.,Jin, Min.,Peng, Bo.,Zhang, Hao.,Tan, Xiaojian.,...&Jiang, Jun.(2018).First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating.JOURNAL OF PHYSICAL CHEMISTRY C,122(5),2632-2640.
MLA Shao, Hezhu,et al."First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating".JOURNAL OF PHYSICAL CHEMISTRY C 122.5(2018):2632-2640.
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