Inhibition of defect-induced α-to-δ phase transition for efficient and stable formamidinium perovskite solar cells.

ABSTRACT: Defects passivation is widely devoted to improving the performance of formamidinium lead triiodide perovskite solar cells; however, the effect of various defects on the α-phase stability is still unclear. Here, using density functional theory, we first reveal the degradation pathway of the formamidinium lead triiodide perovskite from α to δ phase and investigate the effect of various defects on the energy barrier of phase transition. The simulation results predict that iodine vacancies are most likely to trigger the degradation, since they obviously reduce the energy barrier of α-to-δ phase transition and have the lowest formation energies at the perovskite surface. A water-insoluble lead oxalate compact layer is introduced on the perovskite surface to largely suppress the α-phase collapse

SUBMITTER: Chen T 

PROVIDER: S-EPMC10543379 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature