Li Yuzhang, Wang Kecheng, Zhou Weijiang, Li Yanbin, Vila Rafael, Huang William, Wang Hongxia, Chen Guangxu, Wu Gong-Her, Tsao Yuchi, Wang Hansen, Sinclair Robert, Chiu Wah, Cui Yi
Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, USA.
Biophysics Program, School of Medicine, Stanford University, Stanford, California 94305, USA.
Matter. 2019 Aug 7;1(2):428-438. doi: 10.1016/j.matt.2019.06.001. Epub 2020 Mar 24.
Host-guest interactions govern the chemistry of a broad range of functional materials, but direct imaging using conventional transmission electron microscopy (TEM) has not been possible. This problem is exacerbated in metal-organic framework (MOF) materials, which are easily damaged by the electron beam. Here, we use cryogenic-electron microscopy (cryo-EM) to stabilize the host-guest structure and resolve the atomic surface of zeolitic imidazolate framework (ZIF-8) and its interaction with guest CO molecules. We image step-edge sites on the ZIF-8 surface that provides insight to its growth behavior. Furthermore, we observe two distinct binding sites for CO within the ZIF-8 pore, which are predicted by density functional theory (DFT) to be energetically favorable. This CO insertion induces an apparent ~3% lattice expansion along the <002> and <011> directions of the ZIF-8 unit cell. The ability to stabilize and preserve host-guest chemistry opens a rich materials space for scientific exploration and discovery using cryo-EM.
主客体相互作用支配着多种功能材料的化学性质，但使用传统透射电子显微镜（TEM）进行直接成像一直无法实现。在金属有机框架（MOF）材料中，这个问题更加严重，因为它们很容易被电子束损坏。在这里，我们使用低温电子显微镜（cryo-EM）来稳定主客体结构，并解析沸石咪唑酯骨架（ZIF-8）的原子表面及其与客体CO分子的相互作用。我们对ZIF-8表面的台阶边缘位点进行成像，这有助于深入了解其生长行为。此外，我们在ZIF-8孔内观察到CO的两个不同结合位点，密度泛函理论（DFT）预测这两个位点在能量上是有利的。这种CO插入导致ZIF-8晶胞沿<002>和<011>方向出现明显约3%的晶格膨胀。稳定和保留主客体化学性质的能力为使用cryo-EM进行科学探索和发现开辟了一个丰富的材料空间。
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