Electrically conductive metal-organic frameworks: insights from theory
Porous electrical conductors are a desirable yet evasive class of materials that would play a key role in the development of novel electrical energy storage devices. Their high surface area and electrical conductivity enable the uptake of electrolyte into their pores, forming the basis for a supercapacitive device. Metal-organic frameworks are an emerging subset of porous materials with fleeting reports of electrical conductivity suitably high for super capacitor implementation. This talk discusses our efforts to understand what gives rise to conductivity in metal-organic frameworks, and how we can use computation to guide experimental efforts to realize future porous conductors.