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

Quinn Campbell, Ismaila Dabo

Research output: Contribution to journalArticle

Abstract

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
Volume151
Issue number4
DOIs
StatePublished - Jul 28 2019

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Silicon
surface stability
water splitting
electrodes
silicon
liquid-solid interfaces
solvation
Electrodes
depletion
Solvation
continuums
Hydrogen
electric potential
hydrogen
Semiconductor materials
Water
Liquids
interactions
Electric potential

All Science Journal Classification (ASJC) codes

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

Cite this

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abstract = "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.",
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Electrochemical stability and light-harvesting ability of silicon photoelectrodes in aqueous environments. / Campbell, Quinn; Dabo, Ismaila.

In: Journal of Chemical Physics, Vol. 151, No. 4, 044109, 28.07.2019.

Research output: Contribution to journalArticle

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