2D conductive MOF electronic property study
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Date
2021
Authors
Yang, Min Chieh
Journal Title
Journal ISSN
Volume Title
Publisher
University of Oregon
Abstract
Due to metal organic framework (MOF) high surface area and crystal lattice architecture, electronic conductive MOF has arisen to become a promising candidate for energy store applications. However, as binding nature between metal and organic linker being ionic, electronically conductive MOFs required for energy related application remains unexplored and desirable while most MOFs are insulators. Among conductive MOFs, MX4 type MOF structure provided potential in-plane charge transfer pathway through d-pi interaction between the metal and organic linker with examples such as Ni3(HIB)2 and Cu3(HIB)2 providing conductivity of 800 S/cm and 1300S/cm, respectively. Ni3(HITP)2 (Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2), MX4 type structural MOF, has shown conductivity of 40 S/cm through pi-stacking along the C-direction of its organic linker instead of through the conjugating pathway along the AB-plane. While Ni3(HITP)2 AB-plane shown to possess band gap within the semi-conductor level, , Ni3(HITP)2 derivative NiTAA-MOF (Ni(II) Tetraaza[14]annulene-Linked Metal Organic Framework) was synthesized to explore potential in-plane conduction pathway. Here, with computational technique, we examine the effect of the additional 3-carbon bridge motif towards Ni3(HITP)2 electronic structure. In addition, as NiTAA-MOF composed of unoxidized HITP linker, electronic structural examinations towards n-type doped Ni3(HITP)2 were performed to explore potential improvement of Ni3(HITP)2 charge transfer ability.
Description
1 page.