Magnus' Green Salt Revisited: Impact of Platinum–Platinum Interactions on Electronic Structure and Carrier Mobilities

Magnus' green salt is the prototype of a class of organic–inorganic hybrid semiconducting materials that combine attractive charge-transport properties and processability. By using density-functional-theory methods, the electronic structure of Magnus' green salt is investigated, in particular the nature of the interplatinum interactions (see figure). In conjunction with time-of-flight measurements of the carrier mobilities, key structure–property relationships for these materials are re-established.