Tuning Interfacial Energetics with Surface Ligands to Enhance Perovskite Solar Cell Performance: Article No. 101650

Tuo Liu, Rebecca Scheidt, Xiaopeng Zheng, Syed Joy, Qi Jiang, Harindi Atapattu, Min Chen, Henry Pruett, Kai Zhu, Joseph Luther, Matthew Beard, Kenneth Graham

Research output: Contribution to journalArticlepeer-review

1 Scopus Citations


Surface ligands are often used to improve perovskite solar cells (PSCs). Here, a series of surface ligands with varying dipole moments are applied at the methylammonium lead iodide (MAPbI3)/C60 interface to vary the energy-level alignment. All investigated surface ligands improve PSC performance, with 4-fluorophenethylammonium iodide (FPEAI) displaying the greatest improvement. Transient absorption and reflectance measurements show similar recombination dynamics in all ligand-treated MAPbI3/C60 bilayer films. Transient photovoltage measurements also show similar recombination lifetimes at similar charge-carrier densities; however, differential capacitance measurements indicate that FPEAI shifts the differential capacitance curve to higher voltages. In situ ultraviolet photoemission spectroscopy measurements show that the interfacial energy gap at the MAPbI3/C60 interface increases from 1.19 eV with phenethylammonium iodide (PEAI) to 1.50 eV with FPEAI, corresponding to the shift of the differential capacitance curve. This increased interfacial energy gap is responsible for the increased open-circuit voltage (VOC) and should be considered in surface ligand selection.
Original languageAmerican English
Number of pages18
JournalCell Reports Physical Science
Issue number11
StatePublished - 2023

NREL Publication Number

  • NREL/JA-5900-86973


  • interfacial energetics
  • inverted perovskite solar cell
  • photoemission spectroscopy
  • transient absorbance
  • transient photocurrent
  • transient photovoltage
  • transient reflectance
  • ultrafast spectroscopy


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