Energetic and electronic properties of CsPbBr<sub>3</sub> surfaces: a first-principles study
Yi Yang, Chunju Hou, Tongxiang Liang
Abstract
stable. Our results provide physical insights into understanding and further enhancing the surface stability of all-inorganic halide perovskites. This would be helpful in promoting the advancement of all-inorganic halide perovskite-based materials and devices.
Topics & Concepts
Stability (learning theory)Phase diagramElectronic structureMaterials scienceChemical physicsPhase (matter)PhysicsCrystallographyChemistryNanotechnologyComputational chemistryComputer scienceQuantum mechanicsMachine learningPerovskite Materials and ApplicationsOptical properties and cooling technologies in crystalline materialsCold Atom Physics and Bose-Einstein Condensates