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- W2931294025 abstract "Host-guest interactions govern the chemistry of a broad range of functional materials. However, the weak bonding between host and guest prevents atomic-resolution studies of their structure and chemistry using transmission electron microscopy (TEM). This problem is exacerbated in metal-organic frameworks (MOF), in which the host framework is easily damaged by the electron beam. Here, we use cryogenic-electron microscopy (cryo-EM) to simultaneously address these two challenges and resolve the atomic surface structure of zeolitic imidazolate framework (ZIF-8) and its interaction with guest CO2 molecules. We image atomic step-edge sites on the ZIF-8 surface that provides possible insight to its growth behavior. Furthermore, we observe two distinct binding sites for CO2 within the ZIF-8 pore, which are both predicted by density functional theory (DFT) to be energetically favorable. This CO2 insertion induces an apparent ~3% lattice expansion along the and directions of the ZIF-8 unit cell. The ability to stabilize MOFs and preserve their host-guest chemistry opens a rich materials space for scientific exploration and discovery using cryo-EM." @default.
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- W2931294025 date "2020-04-01" @default.
- W2931294025 modified "2023-09-30" @default.
- W2931294025 title "Cryo-EM Structures of Atomic Surfaces and Host-Guest Chemistry in Metal-Organic Frameworks" @default.
- W2931294025 doi "https://doi.org/10.1016/j.matt.2020.03.014" @default.
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