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 language | English (US) |
|---|---|
| Article number | 044109 |
| Journal | Journal of Chemical Physics |
| Volume | 151 |
| Issue number | 4 |
| DOIs | |
| State | Published - Jul 28 2019 |
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All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Cite this
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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 journal › Article
TY - JOUR
T1 - Electrochemical stability and light-harvesting ability of silicon photoelectrodes in aqueous environments
AU - Campbell, Quinn
AU - Dabo, Ismaila
PY - 2019/7/28
Y1 - 2019/7/28
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85070959891&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85070959891&partnerID=8YFLogxK
U2 - 10.1063/1.5093810
DO - 10.1063/1.5093810
M3 - Article
C2 - 31370555
AN - SCOPUS:85070959891
VL - 151
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 4
M1 - 044109
ER -