Find Paper, Faster
Example:10.1021/acsami.1c06204 or Chem. Rev., 2007, 107, 2411-2502
Ultrahigh thermal conductivity in three-dimensional covalent organic frameworks
Materials Today Physics  (IF9.298),  Pub Date : 2021-09-17, DOI: 10.1016/j.mtphys.2021.100536
Hao Ma, Zara Aamer, Zhiting Tian

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.