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Table · dataset · 2026

Surface Compositional Reconstruction of Sb<sub>2</sub>Se<sub>3</sub> Thin Films with Simultaneously Enhanced Charge Transport and Light Trapping Enabling Efficient Photocathodes

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Antimony selenide (Sb<sub>2</sub>Se<sub>3</sub>) is a promising photocathode semiconductor for photoelectrochemical (PEC) water splitting thanks to its cost-effectiveness and photoelectric property advantages.

Description

However, the performance of Sb<sub>2</sub>Se<sub>3</sub> photocathodes remains limited by a low onset potential (<i>V</i><sub>on</sub>), mainly associated with complex deep-level defects that induce photovoltage losses.

Herein, we introduce a targeted post-passivation strategy regulated by the diffusion kinetics of a highly reactive gaseous sulfur source. It induces surface compositional reconstruction, mitigating deep-level defects by transforming them into relatively shallow-level defects. Meanwhile, the Sb<sub>2</sub>Se<sub>3</sub>(S) layer formed via surface compositional reconstruction enables a favorable spike-like band alignment with the CdS buffer layer and reduces charge transfer resistance.

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In addition, the resulting Sb<sub>2</sub>Se<sub>3</sub>(S) surface exhibits a groove-like light-trapping microstructure, thereby enhancing photon utilization. As a result, the optimized Mo/Sb<sub>2</sub>Se<sub>3</sub>(S)/CdS/SnO<sub>2</sub>/Pt photocathode overcomes the trade-off between photocurrent and photovoltage, achieving the highest reported <i>V</i><sub>on</sub> of 0.62 <i>V</i><sub>RHE</sub> among Sb<sub>2</sub>Se<sub>3</sub>-based photocathodes, together with a high photocurrent density (<i>J</i><sub>ph</sub>) of 26.81 mA cm<sup>–2</sup>, and a half-cell solar to-hydrogen (HC-STH) conversion efficiency of 5.62%.

When coupled with a BiVO<sub>4</sub> photoanode, it further delivers a record unbiased STH efficiency of 2.72%, setting a benchmark in Sb<sub>2</sub>Se<sub>3</sub>-based tandem cells for PEC processed solar hydrogen production.

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figshareoai:figshare.com:article/338032809 d agoJSON v1
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