Unlocking the Potential of Hexagonal Boron Sheets: Giant Improvements in Thermal Conductivity and Mechanics through Molybdenum Intercalation
Unlocking the Potential of Hexagonal Boron Sheets: Giant Improvements in Thermal Conductivity and Mechanics through Molybdenum Intercalation
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DOI：
10.1016/j.mtphys.2023.101012
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发表时间：
2023-02
影响因子：
11.5
通讯作者：
M. Alidoosti;D. N. Esfahani;Shahram Yalameha;D. Vashaee
中科院分区：
文献类型：
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作者：
M. Alidoosti;D. N. Esfahani;Shahram Yalameha;D. Vashaee
一种新型二维 (2D) 材料 MoB4（称为狄拉克材料）被发现具有卓越的电子特性以及有前景的热和机械特性。我们的计算表明，MoB4 的杨氏模量高达 384 N/m，超过了石墨烯。此外，我们预测 MoB4 在室温下的导热率为 461 W/mK。与蜂窝结构中的单个硼片和 MoB2 相比，这是一个显着的改进，导热系数分别高出 32 倍和 8 倍。热导率的增强归因于非谐性和散射相空间的抑制，以及 MoB4 中群速度的增加。
A new two-dimensional (2D) material, MoB4, known as a Dirac material, has been found to possess exceptional electronic properties and promising thermal and mechanical characteristics. Our calculations reveal that MoB4has a remarkable Young's modulus of 384 N/m, surpassing that of graphene. Additionally, we predict that MoB4exhibits a thermal conductivity of 461 W/mK at room temperature. This is a significant improvement when compared to a single boron sheet in a honeycomb structure and MoB2, showing 32 and 8 times higher thermal conductivity, respectively. This enhancement in thermal conductivity is attributed to the suppression of anharmonicity and scattering phase space, along with an increased group velocity in MoB4.