Correlated missing linker defects increase thermal conductivity in metal-organic framework UiO-66.

ABSTRACT: Thermal transport in metal-organic frameworks (MOFs) is an essential but frequently overlooked property. Among the small number of existing studies on thermal transport in MOFs, even fewer have considered explicitly the influence of defects. However, defects naturally exist in MOF crystals and are known to influence many of their material properties. In this work, we investigate the influence of both randomly and symmetrically distributed defects on the thermal conductivity of the MOF UiO-66. Two types of defects were examined: missing linker and missing cluster defects. For symmetrically distributed (i.e., spatially correlated) defects, we considered three experimentally resolved defect nanodomains of UiO-66 with underlying topologies of bcu, reo, and scu. We observed that both ran

SUBMITTER: Islamov M 

PROVIDER: S-EPMC10284114 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature