FIRST-PRINCIPLES INVESTIGATION OF THE ETL/CsPbIBr 2 HETEROJUNCTION: EFFECT OF ELECTRON TRANSPORT LAYER MATERIALS ON INTERFACE PROPERTIES

With the increase of awareness of environmental protection and the popularization of renewable energy, photovoltaic power generation has been applied in more and more places, and photoelectric conversion materials have gradually become research hotspots. All-inorganic perovskite has become a hotspot in the commercial development of solar cells due to its excellent stability. Although CsPbIBr2 perovskite has excellent stability, serious interface carrier recombination hinders the development of its power conversion efficiency and deteriorates the open circuit voltage. In this work, by studying the ETL/Perovskite interface properties of TiO2/SnO2/ZnO different electron transport layer materials, through the calculation of the electronic properties of the interface and the analysis of the carrier transfer mechanism, the electronic properties of the heterojunction interface are predicted, and an effective theoretical mechanism is provided for experimental research.