Chulmin Pyo

Computational assessment, against criteria specified in advance, of a Na+/Ag+ ion-exchange route to Ag2MgSiO4, a predicted wurtzite-derived silver silicate

Many metastable inorganic compounds exist only because a synthetic route delivers them, and database screening is poorly placed to find them. Topotactic ion exchange is such a route: at low temperature it swaps the mobile cation of a known parent for another, ideally while the framework stays intact, yet it is rarely a...