Control of the pH-dependence of the band edges of Si(111) surfaces using mixed methyl/allyl monolayers

Erik Johansson; Shannon W. Boettcher; Leslie E. O'Leary; Andrey D. Poletayev; Stephen Maldonado; Bruce S. Brunschwig; Nathan S. Lewis

doi:10.1021/jp109799e

Control of the pH-dependence of the band edges of Si(111) surfaces using mixed methyl/allyl monolayers

Erik Johansson, Shannon W. Boettcher, Leslie E. O'Leary, Andrey D. Poletayev, Stephen Maldonado, Bruce S. Brunschwig, Nathan S. Lewis

California Institute of Technology

Research output: Contribution to journal › Article

29 Citations (Scopus)

Abstract

The open-circuit potentials of p-Si/((MV²⁺/MV⁺) _(aq)) junctions with Si(111) surfaces functionalized with H-, CH ₃-, CH₂CHCH₂-, or mixed CH₃-/CH ₂CHCH₂- monolayers have been investigated as the solution pH was changed from 2.5 to 11. The pH sensitivity of the open-circuit potentials, and therefore the band-edge positions, was anticorrelated with the total fraction of Si atop sites that were terminated by Si-C bonds. This behavior is consistent with the hypothesis that the non Si-C terminated atop sites were initially H-terminated and were unstable to oxide growth under aqueous conditions with the oxidation-product inducing a pH-dependent dipole. Metal-semiconductor junctions between Hg and CH₃-, CH ₂CHCH₂-, or mixed CH₃-/CH₂CHCH ₂-terminated n-Si(111) surfaces formed rectifying Hg/Si Schottky junctions and exhibited mutually similar barrier-heights (̃0.9 V), suggesting similar magnitudes and direction of the surface dipoles on all of these functionalized surfaces.

Original language	English
Pages (from-to)	8594-8601
Number of pages	8
Journal	Journal of Physical Chemistry C
Volume	115
Issue number	17
DOIs	https://doi.org/10.1021/jp109799e
Publication status	Published - May 5 2011

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ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Energy(all)
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

Cite this

Johansson, E., Boettcher, S. W., O'Leary, L. E., Poletayev, A. D., Maldonado, S., Brunschwig, B. S., & Lewis, N. S. (2011). Control of the pH-dependence of the band edges of Si(111) surfaces using mixed methyl/allyl monolayers. Journal of Physical Chemistry C, 115(17), 8594-8601. https://doi.org/10.1021/jp109799e

Control of the pH-dependence of the band edges of Si(111) surfaces using mixed methyl/allyl monolayers. / Johansson, Erik; Boettcher, Shannon W.; O'Leary, Leslie E.; Poletayev, Andrey D.; Maldonado, Stephen; Brunschwig, Bruce S.; Lewis, Nathan S.

In: Journal of Physical Chemistry C, Vol. 115, No. 17, 05.05.2011, p. 8594-8601.

Research output: Contribution to journal › Article

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abstract = "The open-circuit potentials of p-Si/((MV2+/MV+) (aq)) junctions with Si(111) surfaces functionalized with H-, CH 3-, CH2CHCH2-, or mixed CH3-/CH 2CHCH2- monolayers have been investigated as the solution pH was changed from 2.5 to 11. The pH sensitivity of the open-circuit potentials, and therefore the band-edge positions, was anticorrelated with the total fraction of Si atop sites that were terminated by Si-C bonds. This behavior is consistent with the hypothesis that the non Si-C terminated atop sites were initially H-terminated and were unstable to oxide growth under aqueous conditions with the oxidation-product inducing a pH-dependent dipole. Metal-semiconductor junctions between Hg and CH3-, CH 2CHCH2-, or mixed CH3-/CH2CHCH 2-terminated n-Si(111) surfaces formed rectifying Hg/Si Schottky junctions and exhibited mutually similar barrier-heights {\~(}0.9 V), suggesting similar magnitudes and direction of the surface dipoles on all of these functionalized surfaces.",

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10.1021/jp109799e