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Robust 2D-SnSe2/TiO2 S-scheme heterostructure for efficient neutral-pH oxygen evolution: experiments and DFT insights
One-line summary
A solar energy research paper on Robust 2D-SnSe2/TiO2 S-scheme heterostructure for efficient neutral-pH oxygen evolution: experiments and DFT insights.
Engineering notes
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Chinese explanation / 中文解读
中文解读待补充：本站会优先为光伏效率、钙钛矿太阳能电池、储能技术、太阳能热利用、BIPV、并网技术等高价值论文补充中文说明。
Original abstract
Abstract Designing chemically robust photoanodes capable of efficient oxygen evolution reaction (OER) in neutral media remains a central challenge for practical photoelectrochemical (PEC) water splitting. By experiment and theory herein we report the PEC OER functionality of a durable and mechanistically well-defined 2D-SnSe 2 /mesoporous TiO 2 heterostructure photoanode operating at pH 7. Highly crystalline 2D-SnSe 2 nanosheets (1.8 ± 0.1 μm lateral size and 100 ± 5 nm thickness) were solvothermally grown over mesoporous TiO 2 films, forming a layered 2D-SnSe 2 /TiO 2 heterojunction, with efficient carrier transport and strong interfacial adhesion, solving the common delamination problem of 2D/TiO 2 systems. Under solar illumination, the 2D-SnSe 2 /TiO 2 photoanode delivers a 16-fold higher current density than its single counterparts (0.80 mA/cm 2 at 1.7 V vs RHE), together with excellent operational stability ( < 3% decay over 3 × 16 h continuous irradiation). Combining Mott–Schottky, valence-band XPS, and optical bandgap measurements with density functional theory (DFT), we reconstruct a defect-driven S-scheme charge-transfer mechanism, where oxygen vacancies in (110) TiO 2 shift band edges to promote selective electron–hole recombination at the interface. Finally, differential free adsorption energies calculations of the four OER intermediates over oxygen defective (110) TiO 2 , indicate the OH* → O* transition as the potential-determining step. These results establish 2D-SnSe 2 /TiO 2 as a stable, visible-light-responsive S-scheme heterostructure for neutral-pH OER, broadening the OER applications of group-IV chalcogenides MX 2 (M = Sn, Ge; X = S, Se)/TiO 2 photoanodes in neutral electrolytes.
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