Layer thickness-dependent phonon properties and thermal conductivity of MoS2

By Xiaokun Gu, Baowen Li, Ronggui Yang. 2016

177 citations recorded by the source corpus.

For conventional materials, the thermal conductivity of thin films is usually suppressed when the thickness decreases due to phonon-boundary scattering. However, this is not necessarily true for the van der Waals solids if the thickness is reduced to only a few layers. In this letter, the layer thickness-dependent phonon properties and thermal conductivity in the few-layer MoS2 are studied using the first-principles-based Peierls-Boltzmann transport equation approach. The basal-plane thermal conductivity of 10-μm-long samples is found to monotonically reduce from 138 W/mK to 98 W/mK for naturally occurring MoS2, and from 155 W/mK to 115 W/mK for isotopically pure MoS2, when its thickness increases from one layer to three layers. The thermal conductivity of tri-layer MoS2 approaches to that of bulk MoS2. Both the change of phonon dispersion and the thickness-induced anharmonicity are important for explaining such a thermal conductivity reduction. The increased anharmonicity in bi-layer MoS2 results in stro...

Subfields: Materials Chemistry, Mechanics of Materials

View Paper: https://www.semanticscholar.org/paper/059e3073ca5386fa4762a7c7b64f27f25ce2b4da

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In Materials Chemistry

1. Xiaobo Yin
2. Yujie Wei
3. Baowen Li
4. Xiaokun Gu
5. Ronggui Yang
6. Gang Zhang
7. Gang Chen
8. Yong‐Wei Zhang

In Mechanics of Materials

1. Ronggui Yang
2. Xiaokun Gu
3. Baowen Li

Citations in the corpus

• Colloquium: Phononic thermal properties of two-dimensional materials (2017, methodology): “Since the dominant atomic motion of ZA phonons is along the z direction, the scattering rates of these ZA phonon modes are thus very small (Gu, Li, and Yang, 2016).”