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• W3199805023 abstract "Covalent organic frameworks (COFs) are a new, growing class of crystalline polymers with exceptional characteristics such as low density, mechanical strength, and flexibility. Taking three-dimensional (3D) COF-300 derivatives as an example, we apply molecular dynamics simulations to show that ultrahigh thermal conductivity (>15 W/(mK)) is achieved at a pore size of d = 0.63 nm. This is the first observation of such an outstanding intrinsic thermal conductivity of a 3D polymer in all directions. Further temperature-dependent thermal conductivity calculations and X-ray diffraction (XRD) patterns highlight the importance of maintaining microscopic order for a large thermal conductivity. We also demonstrate that the tunability and anisotropy in COFs provide sufficient room to engineer and obtain desired thermal conductivity. These findings provide a fundamental understanding of structure-thermal conductivity relation in COFs and shine a light on high-thermal-conductivity COFs for thermal management applications." @default.
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• W3199805023 date "2021-11-01" @default.
• W3199805023 modified "2023-10-05" @default.
• W3199805023 title "Ultrahigh thermal conductivity in three-dimensional covalent organic frameworks" @default.
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• W3199805023 doi "https://doi.org/10.1016/j.mtphys.2021.100536" @default.
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