Linker-Based Bandgap Tuning in Conductive MOF Solid Solutions

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

doi:10.1002/smll.202206988

Title: Linker-Based Bandgap Tuning in Conductive MOF Solid Solutions

Journal Article · Sun Jan 15 00:00:00 UTC 2023 · Small

DOI: https://doi.org/10.1002/smll.202206988 · OSTI ID:2423501

^[1]; Wang, Minyan ^[1];

^[1];

^[1]; Tayman, Kyle ^[1];

^[1];

^[1]

University of Colorado, Boulder, CO (United States)

Herein, the synthesis of Cu₃(HAB)_x(TATHB)_2-x (HAB: hexaaminobenzene, TATHB: triaminotrihydroxybenzene) is reported. Synthetic improvement of Cu₃(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 Cu₃(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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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: National Research Foundation of Korea; National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2423501

Journal Information:: Small, Journal Name: Small Journal Issue: 11 Vol. 19; ISSN 1613-6810

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Linker-Based Bandgap Tuning in Conductive MOF Solid Solutions

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