气候变化领域集成服务门户(CCPortal): Mechanistic insights into the phase transition and metal ex-solution phenomena of Pr0.5Ba0.5Mn0.85Co0.15O3-: δfrom simple to layered perovskite under reducing conditions and enhanced catalytic activity

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DOI	10.1039/d0ee02875d
	Mechanistic insights into the phase transition and metal ex-solution phenomena of Pr0.5Ba0.5Mn0.85Co0.15O3-: δfrom simple to layered perovskite under reducing conditions and enhanced catalytic activity
	Kim K.; Joo S.; Huang R.; Kim H.J.; Kim G.; Han J.W.
发表日期	2021
ISSN	17545692
起始页码	873
结束页码	882
卷号	14 期号:2
英文摘要	We use density functional theory calculations and in situ X-ray diffraction spectroscopy experiments on Co-doped Pr0.5Ba0.5MnO3-δ (PBMCO) to understand how the phase transition from PBMCO to layered PBMCO occurred. The role of Co dopants for both the phase transition and the ex-solution is also elucidated. It turns out that the selective formation of oxygen vacancies at the Pr layer plays a key role in the phase transition to layered perovskite. The ex-solved Co nanoparticles showed higher catalytic activity than the doped one for CO oxidation. These results can guide the design of highly-active perovskite-based redox catalysts. © The Royal Society of Chemistry.
英文关键词	Barium compounds; Catalytic oxidation; Cobalt; Cobalt metallography; Density functional theory; Manganese compounds; Perovskite; Praseodymium compounds; Co Nanoparticles; Co oxidation; Enhanced catalytic activity; In-situ X-ray diffraction; Layered perovskite; Redox catalysts; Reducing conditions; Selective formation; Catalyst activity; artificial intelligence; catalysis; catalyst; detection method; experimental study; knowledge; learning; oxidant; oxidation; perovskite; phase transition; redox conditions
语种	英语
来源期刊	Energy & Environmental Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/190784
作者单位	Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH), Pohang Gyeongbuk, 37673, South Korea; School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST), Ulsan, 44919, South Korea
推荐引用方式 GB/T 7714	Kim K.,Joo S.,Huang R.,et al. Mechanistic insights into the phase transition and metal ex-solution phenomena of Pr0.5Ba0.5Mn0.85Co0.15O3-: δfrom simple to layered perovskite under reducing conditions and enhanced catalytic activity[J],2021,14(2).
APA	Kim K.,Joo S.,Huang R.,Kim H.J.,Kim G.,&Han J.W..(2021).Mechanistic insights into the phase transition and metal ex-solution phenomena of Pr0.5Ba0.5Mn0.85Co0.15O3-: δfrom simple to layered perovskite under reducing conditions and enhanced catalytic activity.Energy & Environmental Science,14(2).
MLA	Kim K.,et al."Mechanistic insights into the phase transition and metal ex-solution phenomena of Pr0.5Ba0.5Mn0.85Co0.15O3-: δfrom simple to layered perovskite under reducing conditions and enhanced catalytic activity".Energy & Environmental Science 14.2(2021).