First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating

CORC > 宁波材料技术与工程研究所 > 中国科学院宁波材料技术与工程研究所 > 2018专题

	First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating
	Tan, Xiaojian; Peng, Bo; Zhang, Hao; Jiang, Jun; Jin, Min; Shao, Hezhu; Jiang, Haochuan; Liu, Guo-Qiang
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2018
卷号	122 期号:5 页码:2632-2640
关键词	Thermal-conductivity Crystals Scattering Dynamics Raman Mos2
英文摘要	Structural 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.
学科主题	Electrochemistry
语种	英语
公开日期	2018-12-04
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/16818]
专题	2018专题
推荐引用方式 GB/T 7714	Tan, Xiaojian,Peng, Bo,Zhang, Hao,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	Tan, Xiaojian.,Peng, Bo.,Zhang, Hao.,Jiang, Jun.,Jin, Min.,...&Liu, Guo-Qiang.(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	Tan, Xiaojian,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.