Catalysts for electrochemical and photochemical reactions play critical roles in energy
storage and conversion as well as degradation of organic pollutants. Due to their unique …

Chemical pressure, a strange but familiar concept, is a lattice internal force caused by lattice
strain with chemical modifications and arouses great interest due to its diversity and …

We apply machine learning (ML) methods to a database of 390 experimentally reported
ABO 3 compounds to construct two statistical models that predict possible new perovskite …

Ionic substitution forms an essential pathway to manipulate the structural phase, carrier
density and crystalline symmetry of materials via ion-electron-lattice coupling, leading to a …

Hexagonal perovskites, in contrast to the more familiar perovskites, when oxides, allow for
face-sharing of metal–oxygen octahedra or trigonal prisms within their structural frameworks …

Since fabricating the first transparent conductive oxide (TCO) material, several investigations
and applications have been reported in such fields as portable and flexible electronics, solar …

The simple ABO3 and A-site-ordered AA′ 3B4O12 perovskites represent two types of
classical perovskite functional materials. There are well-known simple perovskites with …

Structural, elastic, electronic and magnetic properties of the transition metals based
perovskites SrTMO 3 (TM= Mn, Fe, Co, Tc, Ru, Rh, Re, Os, Ir) are investigated using …

Switchable ferroelectric polarization in ultrathin-film heterostructures offers a promising
functional basis for novel nanoelectronic devices. The main challenge for the …

Engineering transition-metal oxides depends on understanding a few general concepts.
Three of these are discussed:(1) orbital mixing and the roles of cation-d/O-2p covalent …