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Synthesizing Cr‐Based Two‐Dimensional Conjugated Metal‐Organic Framework Through On‐Surface Substitution Reaction

Weiliang Zhong, Tingfeng Zhang, Dan Chen, Nuoyu Su, Guangyao Miao, Jiandong Guo, Long Chen, Zhengfei Wang, Weihua Wang

2023Small16 citationsDOI

Abstract

Abstract A single‐layer Cr 3 (HITP) 2 (HITP = 2,3,6,7,10,11‐hexaiminotriphenylene) conjugated metal‐organic framework ( c ‐MOF) is synthesized under ultrahigh vacuum conditions by substituting Cr for Ni in Ni 3 (HITP) 2 template. As revealed by low‐temperature scanning tunneling microscopy and scanning tunneling spectroscopy, while codeposition of Cr atoms and 2,3,6,7,10,11‐hexaaminotriphenylene precursors produces irregular branches, crystalline Cr 3 (HITP) 2 frameworks are obtained by depositing Cr atoms to the Ni 3 (HITP) 2 templates. The density functional theory calculations reveal that the binding energy between Cr and HITP ligands is much higher than that for Ni, which hampers the growth of crystalline Cr 3 (HITP) 2 frameworks through direct coordination assembly but makes the substitution reaction energetically favorable. This work demonstrates a new strategy to prepare high‐quality early‐transition‐metal‐based c ‐MOFs under ultrahigh vacuum conditions.

Topics & Concepts

Scanning tunneling microscopeMaterials scienceDensity functional theoryTransition metalTemplateMetal-organic frameworkCrystallographyConjugated systemScanning tunneling spectroscopySpectroscopyMetalNanotechnologyChemical engineeringPhysical chemistryCatalysisComputational chemistryChemistryMetallurgyOrganic chemistryAdsorptionPolymerEngineeringComposite materialPhysicsQuantum mechanicsMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceSurface Chemistry and Catalysis