Novel Single Perovskite Material for Visible-Light Photocatalytic CO2 Reduction via Joint Experimental and DFT Study

IF 13 2区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Small Pub Date : 2024-11-20 DOI:10.1002/smll.202407206

Ulkar Samadova, Amil Aligayev, Pir Muhammad Ismail, Min Liu, Ulviya Safarzade, Arif Hashimov, Ilhame Zakiyeva, Syeda Sughra Rabbani, Habib Khan, Qing Huang, Xiaoqiang Wu, Li Zhong, Fazal Raziq, Jiabao Yi, Pengfei Xia, Liang Qiao

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Abstract

Developing advanced and economically viable technologies for the capture and utilization of carbon dioxide (CO₂) is crucial for sustainable energy production from fossil fuels. Converting CO₂ into valuable chemicals and fuels is a promising approach to mitigate atmospheric CO₂ levels. Among various methods, photocatalytic reduction stands out for its potential to reduce emissions and produce useful products. Here, novel perovskite ZnMoFeO₃ (ZMFO) nanosheets are presented as promising semiconductor photocatalysts for CO₂ reduction. Experimental results show that ZMFO has a narrow bandgap, exceptional visible light response, large specific surface area, high crystallinity, and various surface-active sites, leading to an impressive photocatalytic CO₂ reduction activity of 24.87 µmolg⁻¹h⁻¹ and strong stability. Theoretical calculations reveal that CO₂ conversion into CO and CH₄ on the ZMFO surface follows formaldehyde and carbine pathways. This study provides significant insights into designing innovative perovskite oxide-based photocatalysts for economical and efficient CO₂ reduction systems.

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通过实验和 DFT 联合研究发现用于可见光光催化二氧化碳还原的新型单一过氧化物材料

开发先进的、经济上可行的二氧化碳（CO2）捕集与利用技术，对于利用化石燃料进行可持续能源生产至关重要。将二氧化碳转化为有价值的化学品和燃料，是减缓大气中二氧化碳含量的一种可行方法。在各种方法中，光催化还原因其减少排放和生产有用产品的潜力而脱颖而出。这里介绍的新型过氧化物 ZnMoFeO3（ZMFO）纳米片是一种很有前景的用于还原二氧化碳的半导体光催化剂。实验结果表明，ZMFO 具有窄带隙、优异的可见光响应、大比表面积、高结晶度和多种表面活性位点，因而具有 24.87 µmolg-1h-1 的令人印象深刻的光催化二氧化碳还原活性和很强的稳定性。理论计算显示，二氧化碳在 ZMFO 表面转化为 CO 和 CH4 的过程遵循甲醛和碳化途径。这项研究为设计基于包晶氧化物的创新型光催化剂以实现经济高效的二氧化碳还原系统提供了重要启示。

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来源期刊

Small 工程技术-材料科学：综合

CiteScore

17.70

自引率

3.80%

发文量

1830

审稿时长

2.1 months

期刊介绍： Small serves as an exceptional platform for both experimental and theoretical studies in fundamental and applied interdisciplinary research at the nano- and microscale. The journal offers a compelling mix of peer-reviewed Research Articles, Reviews, Perspectives, and Comments. With a remarkable 2022 Journal Impact Factor of 13.3 (Journal Citation Reports from Clarivate Analytics, 2023), Small remains among the top multidisciplinary journals, covering a wide range of topics at the interface of materials science, chemistry, physics, engineering, medicine, and biology. Small's readership includes biochemists, biologists, biomedical scientists, chemists, engineers, information technologists, materials scientists, physicists, and theoreticians alike.