钙钛矿型氧载体A/B位金属及掺杂对其氧释放能力影响的研究进展
首发时间:2020-12-21
摘要:钙钛矿型氧载体ABO3由于其A/B位金属选择的多样性使其具有优异的催化氧化性能,而氧载体的氧释放能力是影响其氧化性能的重要指标。本文通过对近年来关于A/B位不同金属及掺杂对氧载体氧释放能力影响的文献进行分析和比较,发现A位金属及掺杂离子半径大小、排列有序化程度不仅影响钙钛矿结构的稳定性,同时也会对氧释放能力起到间接调控的作用;B位金属及掺杂离子的第三电离能、金属电荷量、氧迁移前后的电荷分布情况等通过影响氧空穴形成与氧离子的迁移过程来影响氧释放能力。分析和比较时发现钙钛矿氧释放能力对反应路径的影响将是一个重点,今后可将钙钛矿的氧释放能力与反应物C-C、C-H的断裂相结合,以指导脱氢等反应的进行。
关键词: 工程热物理 钙钛矿 氧释放 金属掺杂 氧空穴 离子迁移
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Research Progress of Perovskite-type Oxygen Carrier A/B Site Metals and Doping on Their Oxygen Release Capability
Abstract:The perovskite-type oxygen carrier ABO3 has excellent catalytic oxidation performance due to the diversity of its A/B site metal selection, and the oxygen release capacity of the oxygen carrier is an important index affecting its oxidation performance.This article analyzes and compares the literature on the influence of different metals and doping at the A/B site on the oxygen release capacity of oxygen carriers in recent years. Analyzing and comparing the influential literature, it is found that the A-site metal and doping ion radius and the degree of ordering not only affect the stability of the perovskite structure, but also play an indirect role in regulating the oxygen release capacity; The third ionization energy of the B-site metal and doped ions, the amount of metal charge, and the charge distribution before and after oxygen migration affect the oxygen release ability by affecting the formation of oxygen holes and the migration of oxygen ions. In the analysis and comparison, it is found that the influence of perovskite oxygen release capacity on the reaction path will be a key point. In the future, the oxygen release capacity of perovskite can be combined with the fracture of reactants CC and CH to guide the progress of dehydrogenation and other reactions.
Keywords: Engineering Thermophysics perovskite Oxygen release Metal doping Oxygen vacancy Ion migration
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钙钛矿型氧载体A/B位金属及掺杂对其氧释放能力影响的研究进展
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