Tuning the Work Function of Nickel Oxide Using Triethoxysilane Functionalized Monolayers

Gang Chen, Xinquan Wang, Yuting Shi, Jonathan Tinkham, Thomas Brenner, Dana Olson, Alan Sellinger, Thomas Furtak

Research output: Contribution to journalArticlepeer-review

2 Scopus Citations


The work function of nickel oxide (NiOx) electrodes was tuned by the covalent attachment of commercially available as well as specially synthesized triethoxysilane functionalized molecules with a range of dipole moments. The presence of the silane molecular layers on the NiOx surface was verified using Fourier Transform Infrared (FTIR) spectroscopy and contact angle measurements. While these tests indicated the surface coverage was incomplete, Kelvin probe measurements showed that the coverage was sufficient to change the work function of the NiOx across a range of ~900 meV. Density functional theory (DFT) calculations of the dipole moments of the isolated molecules correlated well with the measured work function changes.
Original languageAmerican English
Pages (from-to)2449-2497
Number of pages49
JournalPhysical Chemistry Chemical Physics
Issue number3
StatePublished - 2021

NREL Publication Number

  • NREL/JA-5900-79135


  • electrodes
  • nickel oxide
  • triethoxysilane


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