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DOE OSTI · 2423501

Linker-Based Bandgap Tuning in Conductive MOF Solid Solutions

Choi, Ji Yong·Wang, Minyan·Check, Brianna·Stodolka, Michael·Tayman, Kyle·Sharma, Sandeep·Park, Jihye
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Abstract

Herein, the synthesis of Cu 3 (HAB) x (TATHB) 2-x (HAB: hexaaminobenzene, TATHB: triaminotrihydroxybenzene) is reported. Synthetic improvement of Cu 3 (TATHB) 2 leads to a more crystalline framework with higher electrical conductivity value than previously reported. The improved crystallinity and analogous structure between TATHB and HAB enable the synthesis of Cu 3 (HAB) x (TATHB) 2-x with ligand compositions precisely controlled by precursor ratios. The electrical conductivity is tuned from 4.2 × 10 -8 to 2.9 × 10 -5 S cm -1 by simply increasing the nitrogen content in the crystal lattice. Furthermore, computational calculation supports that the solid solution facilitates the band structure tuning. In conclusion, it is envisioned that the findings not only shed light on the ligand-dependent structure–property relationship but create new prospects in synthesizing multicomponent electrically conductive metal-organic frameworks (MOFs) for tailoring optoelectronic device applications.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYBandgap tuningChemistryElectrical conductivityMaterials ScienceMetal-organic frameworksPhysicsScience & TechnologySolid solutions

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Choi, Ji Yong, Wang, Minyan, Check, Brianna, Stodolka, Michael, Tayman, Kyle, Sharma, Sandeep, Park, Jihye. 2023-01-15. Linker-Based Bandgap Tuning in Conductive MOF Solid Solutions. https://doi.org/10.1002/smll.202206988

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