First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating
文献类型：期刊论文
| 作者 | Tan, Xiaojian; Peng, Bo; Zhang, Hao; Jiang, Jun; Jin, Min; Shao, Hezhu; Jiang, Haochuan; Liu, Guo-Qiang |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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