Morphological anisotropic engineering is powerful to synthesize metal‐organic frameworks (MOF) with versatile physicochemical properties for diverse applications ranging from gas storage/separation to electrocatalysis and batteries, etc. Herein, we developed a carbon substrate guided strategy for facet‐anisotropic growth of Fe‐THBQ (tetrahydroxy‐1,4‐benzoquinone) frameworks, which is built with cubic Fe octamer bridged by two parallel THBQ ligands along three orthogonal axes, extending to a three‐dimensional (3D) framework with pcu‐e network topology. The electronegative O‐containing functional groups on carbon surfaces compete with THBQ linkers to interact with the unsaturated coordinated Fe cations on the {111} facets and selectively inhibit crystal growth along the <111> direction. The morphology of Fe‐THBQ evolves from thermodynamically favored truncated cube to cuboctahedron depending on the O‐containing functional groups on carbon substrate. The Fe‐THBQ with varied morphologies exhibits facet‐dependent performances for lithium storage. This work will shed lights on morphology modulation of MOFs for promising applications.

中文翻译：

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锂离子电池铁苯醌骨架的表面配位调制形态各向异性工程

形态各向异性工程能够有效地合成具有多种物理化学性质的金属有机框架（MOF），适用于从气体储存/分离到电催化和电池等多种应用。在此，我们开发了一种用于Fe面各向异性生长的碳基底引导策略‐THBQ（四羟基-1,4-苯醌）框架，由立方铁八聚体构建，由两个平行的 THBQ 配体沿三个正交轴桥接，延伸至具有 pcu-e 网络拓扑的三维（3D）框架。碳表面上的电负性含氧官能团与 THBQ 连接体竞争，与 {111} 面上的不饱和配位 Fe 阳离子相互作用，并选择性地抑制晶体沿 <111> 方向生长。 Fe-THBQ 的形态从热力学有利的截角立方体演变为立方八面体，具体取决于碳基底上的含氧官能团。具有不同形貌的 Fe-THBQ 表现出与晶面相关的锂存储性能。这项工作将为 MOF 的形态调控带来光明的应用前景。