Understanding double perovskite BCNF as a CO2 splitting catalyst for industrial decarbonisation

IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES
Weiwei Zhao, Hongkun Ma, Zixuan Wang, Benjamin Grégoire, Ao Lin, Siyuan Dai, Xuefeng Lin, Ting Liang, Jie Chen, Tongtong Zhang, Yulong Ding
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Abstract

The foundation industry, particularly the steel sector, is one of the major sources of global CO2 emissions, with each ton of steel produced using iron ores contributing approximately 1.4 (direct reduced iron-based process) to 2 (blast furnace-based process) tons of CO2, with ironmaking accounting for approximately 70% of these emission. Here, we present a study on the potential of using a double perovskite, Ba2Ca0.66Nb0.34FeO6-δ (BCNF), as a CO2 splitting catalyst that converts CO2 into carbon monoxide (CO), a reducing agent in ironmaking, which can be reintegrated into the ironmaking process to enable ‘in-process’ decarbonisation and facilitate close-loop carbon recirculation. The study combines thermodynamic modelling, molecular dynamics simulations, material characterisation, and lab-scale experimental system design, demonstrating the efficiency and practicality of the use of BCNF for CO2 emission reduction at a moderate temperature range. Simultaneous Thermal Analysis and COMSOL-based simulations were employed to optimise reactor design, maximising CO yield. An economic analysis further supports the scalability of this technology for decarbonising the steelmaking industry, which bears significance with the broader applicability to other foundation industrial sectors, including non-ferrous metal smelting, cement, glass, ceramics, and chemicals. This innovation offers a promising pathway towards sustainable industrial practices and contributes to global efforts to address climate change challenges.

Graphical Abstract

了解双钙钛矿BCNF作为工业脱碳的CO2裂解催化剂
基础工业,特别是钢铁行业,是全球二氧化碳排放的主要来源之一,使用铁矿石生产的每吨钢铁约排放1.4吨(直接还原铁基工艺)至2吨(高炉工艺)二氧化碳,其中炼铁约占这些排放的70%。在这里,我们提出了一项关于使用双钙钛矿Ba2Ca0.66Nb0.34FeO6-δ (BCNF)作为二氧化碳裂解催化剂的潜力的研究,该催化剂将二氧化碳转化为一氧化碳(CO),这是炼铁中的还原剂,可以重新整合到炼铁过程中,以实现“过程中”脱碳并促进闭环碳循环。该研究结合了热力学建模、分子动力学模拟、材料表征和实验室规模的实验系统设计,展示了在中等温度范围内使用BCNF减少二氧化碳排放的效率和实用性。同时采用热分析和基于comsol的模拟来优化反应器设计,最大限度地提高CO产量。一项经济分析进一步支持了该技术在炼钢行业脱碳方面的可扩展性,这对其他基础工业部门(包括有色金属冶炼、水泥、玻璃、陶瓷和化工)的广泛适用性具有重要意义。这一创新为实现可持续工业实践提供了一条有希望的途径,并为应对气候变化挑战的全球努力做出了贡献。图形抽象
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来源期刊
CiteScore
26.00
自引率
21.40%
发文量
185
期刊介绍: Advanced Composites and Hybrid Materials is a leading international journal that promotes interdisciplinary collaboration among materials scientists, engineers, chemists, biologists, and physicists working on composites, including nanocomposites. Our aim is to facilitate rapid scientific communication in this field. The journal publishes high-quality research on various aspects of composite materials, including materials design, surface and interface science/engineering, manufacturing, structure control, property design, device fabrication, and other applications. We also welcome simulation and modeling studies that are relevant to composites. Additionally, papers focusing on the relationship between fillers and the matrix are of particular interest. Our scope includes polymer, metal, and ceramic matrices, with a special emphasis on reviews and meta-analyses related to materials selection. We cover a wide range of topics, including transport properties, strategies for controlling interfaces and composition distribution, bottom-up assembly of nanocomposites, highly porous and high-density composites, electronic structure design, materials synergisms, and thermoelectric materials. Advanced Composites and Hybrid Materials follows a rigorous single-blind peer-review process to ensure the quality and integrity of the published work.
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