A conformal titanyl phosphate amorphous overlayer for enhancing photoelectrochemical hydrogen peroxide production

Jaekyum Kim, Young Eun Kim, Minyeong Je, Won Tae Hong, Chang Lyoul Lee, Tae Hoon Kim, Sung Min Cho, Chang Hyuck Choi, Heechae Choi*, Woo Seok Choe, Jung Kyu Kim

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


Photoelectrochemical (PEC) H2O2 production through water oxidation reaction (WOR) is a promising strategy, however, designing highly efficient and selective photoanode materials remains challenging due to competitive reaction pathways. Here, for highly enhanced PEC H2O2 production, we present a conformal amorphous titanyl phosphate (a-TP) overlayer on nanoparticulate TiO2 surfaces, achieved via lysozyme-molded in-situ surface reforming. The a-TP overlayer modulates surface adsorption energies for reaction intermediates, favoring WOR for H2O2 production over the competing O2 evolution reaction. Our density functional theory calculations reveal that a-TP/TiO2 exhibits a substantial energy uphill for the O* formation pathway, which disfavors O2 evolution but promotes H2O2 production. Additionally, the a-TP overlayer strengthens the built-in electric field, resulting in favorable kinetics. Consequently, a-TP/TiO2 exhibits 3.7-fold higher Faraday efficiency (FE) of 63% at 1.76 V vs. reversible hydrogen electrode (RHE) under 1 sun illumination, compared to bare TiO2 (17%), representing the highest FE among TiO2-based WOR H2O2 production systems. Employing the a-TP overlayer constitutes a promising strategy for controlling reaction pathways and achieving efficient solar-to-chemical energy conversion.

Original languageEnglish
Pages (from-to)399-408
Number of pages10
JournalJournal of Energy Chemistry
Publication statusPublished - Nov 2023


  • Amorphous overlayer
  • In-situ surface reforming
  • Reaction pathway control
  • Solar HO production
  • Titanyl phosphate


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