Electrochemical stability and light-harvesting ability of silicon photoelectrodes in aqueous environments

Quinn Campbell, Ismaila Dabo

Research output: Contribution to journalArticle

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We study the factors that affect the photoactivity of silicon electrodes for the water-splitting reaction using a self-consistent continuum solvation model of the solid-liquid interface. This model allows us to calculate the charge-voltage response, Schottky barriers, and surface stability of different terminations while accounting for the interactions between the charge-pinning centers at the surface and the depletion region of the semiconductor. We predict that the most stable oxidized surface does not have a favorable Schottky barrier, which further explains the low solar-to-hydrogen performance of passivated silicon electrodes.

Original languageEnglish (US)
Article number044109
JournalJournal of Chemical Physics
Issue number4
StatePublished - Jul 28 2019


All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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