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Deciphering the pivotal material properties of perovskite for hydrogen production in tar catalytic cracking

[Display omitted] •Toluene conversion rate exceeds 93 % and the H2 production reaches 0.436L/gtoluene.•The regulation of chemical properties is more effective for toluene cracking.•Material structure–activity relationship is quantified by heatmap analysis.•O2– is the most critical for catalytic crac...

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Bibliographic Details
Published in:Fuel (Guildford) 2024-10, Vol.374, p.132501, Article 132501
Main Authors: Chen, Wang-mi, Xi, Bei-dou, Ye, Mei-ying, Li, Ming-xiao, Hou, Jia-qi, Wei, Yu-fang, Yu, Cheng-ze, Meng, Fan-hua
Format: Article
Language:English
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Summary:[Display omitted] •Toluene conversion rate exceeds 93 % and the H2 production reaches 0.436L/gtoluene.•The regulation of chemical properties is more effective for toluene cracking.•Material structure–activity relationship is quantified by heatmap analysis.•O2– is the most critical for catalytic cracking of toluene to produce H2.•Partial oxidation reaction is critical to the hydrogen production process. The catalytic cracking of tar can be efficiently converted into syngas and further processed into liquid fuels and chemicals, thereby reducing pipe blockage and resource waste, which has attracted significant interest. In this study, LaFe0.5Ni0.5O3 perovskites was synthesized using five different methods, and their structure–activity relationships were investigated deeply. The results showed the 27 material properties of the five perovskite catalysts were significantly different, and the potential reasons for these differences in properties were analyzed in detail. Most importantly, the mutual influence among the physical, chemical, and catalytic performance of the catalysts was quantitatively evaluated through heat map analysis. The most critical physical and chemical properties of materials for toluene conversion and hydrogen production were identified. Tafel slope (TS, 0.97), hydrogen consumption for the reduction of high-valent metals (Areaα, 0.96), material impedance (R2, 0.93), and surface lattice oxygen content O2– (0.77) were key properties for toluene conversion. The progress of intermediate reaction was validated as the rate-limiting stage of toluene cracking. The Enhancement of surface lattice oxygen in chalcogenides can effectively promote toluene cleavage for hydrogen production, which was attributed to the partial oxidation reaction of toluene. Adjusting chemical properties improved toluene conversion rate and H2 production more effectively and directly than physical properties. LFNO-SG exhibited significant promise for converting tar into hydrogen-rich syngas.
ISSN:0016-2361
DOI:10.1016/j.fuel.2024.132501