Stress and Defect Effects on Electron Transport Properties at SnO₂/Perovskite Interfaces: A First-Principles Insight.

ABSTRACT: The structural and electronic properties of interfaces play an important role in the stability and functionality of solar cell devices. Experiments indicate that the SnO₂/perovskite interfaces always show superior electron transport efficiency and high structural stability even though there exists a larger lattice mismatch. Aiming at solving the puzzles, we have performed density-functional theory calculations to investigate the electronic characteristics of the SnO₂/perovskite interfaces with various stresses and defects. The results prove that the PbI₂/SnO₂ interfaces have better structural stability and superior characteristics for the electron transport. The tensile stress could move the conduction band minimum (CBM) of CH₃NH₃

SUBMITTER: Pu W 

PROVIDER: S-EPMC9096970 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature