Lowering Band Gap of an Electroactive Metal-Organic Framework via Complementary Guest Intercalation

ACS Appl Mater Interfaces. 2017 Sep 27;9(38):32413-32417. doi: 10.1021/acsami.7b07292. Epub 2017 Sep 15.

Abstract

A new honeycomb-shaped electroactive metal-organic framework (MOF) has been constructed from an electron deficient naphthalenediimide (NDI) ligand equipped with two terminal salicylic acid groups. π-Intercalation of electron-rich planar tetrathiafulvalene (TTF) guests between the NDI ligands stacked along the walls lowers the electronic band gap of the material by ca. 1 eV. An improved electron delocalization through the guest-mediated π-donor/acceptor stacks is attributed to the diminished band gap of the doped material, which forecasts an improved electrical conductivity.

Keywords: band gap; conductivity; metal−organic frameworks; naphthalene diimides; π-donor/acceptor interaction.