Defect engineering to accelerate charge transport in LaFeO3 photocathodes via thermal oxidation: A combined experimental and theoretical study

IF 4.7 2区化学 Q2 CHEMISTRY, PHYSICAL

Applied Catalysis A: General Pub Date : 2024-09-12 DOI:10.1016/j.apcata.2024.119960

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Abstract

In order to improve poor charge carrier transport properties of p-type oxide semiconductors, the post thermal treatment under oxygen atmosphere is systematically studied as a defect engineering strategy for LaFeO₃ photocathodes. The post-thermal oxidation process significantly decreases the photo-generated charge recombination and promotes the charge transport properties of LaFeO₃ photocathodes. The density functional theory calculations and experimental analyses indicate that the thermal oxygen treatment can promote the formation of La vacancy and the reduction of the oxygen vacancy in LaFeO₃, which facilitates its bulk charge transport by increasing hole carrier density. The optimized LaFeO₃ photocathode yields an O₂ reduction photocurrent density of −313 µA/cm² at 0.6 V vs RHE in O₂-saturated KOH solution under 1 sun irradiation. Additionally, we also investigated the feasibility of photoreduction of water by using a Pt-deposited LaFeO₃ photocathodes.

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通过热氧化加速 LaFeO3 光阴极中电荷传输的缺陷工程：实验与理论相结合的研究

为了改善 p 型氧化物半导体较差的电荷载流子传输特性，我们系统地研究了氧气氛下的后热处理作为 LaFeO3 光阴极的缺陷工程策略。后热氧化过程大大降低了光生电荷的重组，提高了 LaFeO3 光阴极的电荷传输性能。密度泛函理论计算和实验分析表明，热氧处理可促进 LaFeO3 中 La 空位的形成和氧空位的减少，从而通过增加空穴载流子密度促进其体电荷传输。优化后的 LaFeO3 光电阴极在氧气饱和的 KOH 溶液中，在 0.6 V 对 RHE 的条件下，在 1 太阳光照射下产生的氧气还原光电流密度为 -313 µA/cm2。此外，我们还研究了使用铂沉积 LaFeO3 光阴极光还原水的可行性。

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来源期刊

Applied Catalysis A: General 化学-环境科学

CiteScore

9.00

自引率

5.50%

发文量

415

审稿时长

24 days

期刊介绍： Applied Catalysis A: General publishes original papers on all aspects of catalysis of basic and practical interest to chemical scientists in both industrial and academic fields, with an emphasis onnew understanding of catalysts and catalytic reactions, new catalytic materials, new techniques, and new processes, especially those that have potential practical implications. Papers that report results of a thorough study or optimization of systems or processes that are well understood, widely studied, or minor variations of known ones are discouraged. Authors should include statements in a separate section "Justification for Publication" of how the manuscript fits the scope of the journal in the cover letter to the editors. Submissions without such justification will be rejected without review.