Most known metal-organic frameworks (MOFs) are electrically insulating with numerous applications ranging from gas storage and separation, to chemical sensors based on florescence or mass changes. Conversely, there are only fleeting examples of electrically conductive MOFs, which have limited composition and topology. The actualization of diverse conductive MOFs would make them attractive targets for implementation in battery materials and as electrocatalysts. Here we investigate the electronic structure of a family of conductive MOFs. Using density functional theory we elucidate charge transfer pathways in MOFs, laying the foundation for the formation of new electrically conductive nanoporous materials.

Electronic structure of electrically conductive metal organic frameworks

255th National Meeting (2018)

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