Ligand-Stabilized Reduced-Dimensionality Perovskites

Metal halide perovskites have rapidly advanced thin-film photovoltaic performance; as a result, the materials' observed instabilities urgently require a solution. Using density functional theory (DFT), we show that a low energy of formation, exacerbated in the presence of humidity, explains the propensity of perovskites to decompose back into their precursors. We find, also using DFT, that intercalation of phenylethylammonium between perovskite layers introduces quantitatively appreciable van der Waals interactions. These drive an increased formation energy and should therefore improve material stability. Here we report reduced-dimensionality (quasi-2D) perovskite films that exhibit improved stability while…

• NR
  National Research Foundation of Korea

  Award: 2014R1A2A1A09005656
• KA
  King Abdullah University of Science and Technology

  Award: KUS-11-009-21
• NS
  Natural Sciences and Engineering Research Council of Canada