Modulation of Surface Bonding Topology: Oxygen Bridges on OH-Terminated InP (001)

Xueqiang Zhang*, Tuan Anh Pham, Tadashi Ogitsu, Brandon C. Wood, Sylwia Ptasinska

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

An understanding and control of complex physiochemical processes at the photoelectrode/electrolyte interface in photoelectrochemical cells (PECs) are essential for developing advanced solar-driven water-splitting technology. Here, we integrate ambient pressure X-ray photoelectron spectroscopy (APXPS) and high-level first-principles calculations to elucidate the evolution of the H2O/InP (001) interfacial chemistry under in situ and ambient conditions. In addition to molecular H2O, OH and H are the only two species found on InP (001) at room temperature. Under elevated temperatures, although the formation of In-O-P is thermodynamically more favorable over In-O-In, the latter can be preferentially generated in a kinetically driven and nonequilibrated environment such as ultrahigh vacuum (UHV); however, when InP is exposed to H2O at both elevated pressures and temperatures, its surface chemistry becomes thermodynamically driven and only In-O-P (or POx) oxygen bridges form. Our simulations suggest that In-O-In, rather than In-O-P, constitutes a charge carrier (hole) trap that causes photocorrosion in PEC devices. Therefore, understanding and modulating the chemical nature of oxygen bridges at the H2O/InP (001) interface will shed light on the fabrication of InP-based photoelectrodes with simultaneously enhanced stability and efficiency.

Original languageEnglish
Pages (from-to)3196-3203
Number of pages8
JournalJournal of Physical Chemistry C
Volume124
Issue number5
DOIs
Publication statusPublished - 6 Feb 2020
Externally publishedYes

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Zhang, X., Pham, T. A., Ogitsu, T., Wood, B. C., & Ptasinska, S. (2020). Modulation of Surface Bonding Topology: Oxygen Bridges on OH-Terminated InP (001). Journal of Physical Chemistry C, 124(5), 3196-3203. https://doi.org/10.1021/acs.jpcc.9b11548