Photoinduced generation of electron anions in H-doped nanoporous oxide 12CaO∙7Al2O3: Toward an optically controlled formation of electrides

摘要: We suggest, on the basis of detailed ab initio calculations both ground and photoexcited states H-doped 12CaO∙7Al2O3 (C12A7:H), that stable high-conductivity regions can be optically generated in this insulating system. Each H− ion C12A7:H can, under photoirradiation at 3.8–4.5 eV, produce up to two electrons a proton binds lattice network forms OH−. Mobile play role anions They move over subnanosized cages C12A7 via polaron hopping. The state is reversibly restored upon heating 300 °C.