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- W4297235514 endingPage "925" @default.
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- W4297235514 abstract "Ultra-thin diamond membranes, diamanes, are one of the most intriguing quasi-2D films, combining unique mechanical, electronic and optical properties. At present, diamanes have been obtained from bi- or few-layer graphene in AA- and AB-stacking by full hydrogenation or fluorination. Here, we study the thermal conductivity of diamanes obtained from bi-layer graphene with twist angle θ between layers forming a Moiré pattern. The combination of DFT calculations and machine learning interatomic potentials makes it possible to perform calculations of the lattice thermal conductivity of such diamanes with twist angles θ of 13.2∘, 21.8∘ and 27.8∘ using the solution of the phonon Boltzmann transport equation. Obtained results show that Moiré diamanes exhibit a wide variety of thermal properties depending on the twist angle, namely a sharp decrease in thermal conductivity from high for untwisted diamanes to ultra-low values when the twist angle tends to 30∘, especially for hydrogenated Moiré diamanes. This effect is associated with high anharmonicity and scattering of phonons related to a strong symmetry breaking of the atomic structure of Moiré diamanes compared with untwisted ones." @default.
- W4297235514 created "2022-09-28" @default.
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- W4297235514 date "2022-09-25" @default.
- W4297235514 modified "2023-10-02" @default.
- W4297235514 title "Ultra-Low Thermal Conductivity of Moiré Diamanes" @default.
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- W4297235514 doi "https://doi.org/10.3390/membranes12100925" @default.
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