Abstract Metal organic frameworks (MOFs) are a new class of nanoporous materials that have many potential advantages over traditional nanoporous materials for several chemical technologies including gas adsorption, catalysis, membrane-based gas separation, sensing, and biomedical devices. Knowledge on the interaction of guest molecules with the MOF surface is required to design and develop these MOF-based processes. In this review, we examine the importance of identification of gas adsorption sites in MOFs using the current state-of-the-art in experiments and computational modeling. This review provides guidelines to design new MOFs with useful surface properties that exhibit desired performances, such as high gas storage capacity, and high gas selectivity.

中文翻译：

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用于气体吸附的金属有机骨架的位点特征

摘要 金属有机骨架（MOFs）是一类新型纳米多孔材料，与传统纳米多孔材料相比，在气体吸附、催化、膜基气体分离、传感和生物医学设备等多种化学技术方面具有许多潜在优势。设计和开发这些基于 MOF 的工艺需要有关客体分子与 MOF 表面相互作用的知识。在这篇综述中，我们使用当前最先进的实验和计算模型研究了识别 MOF 中气体吸附位点的重要性。该综述为设计具有有用表面特性的新型 MOF 提供了指导，这些 MOF 具有所需的性能，例如高储气容量和高气体选择性。