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题名: Identification of the chemical state of Fe in barium hexaaluminate using Rietveld refinement and Fe-57 Mossbauer spectroscopy
作者: Zhu, Yanyan1, 2;  Wang, Xiaodong1;  Wang, Aiqin1;  Wu, Guotao1;  Wang, Junhu1;  Zhang, Tao1
关键词: Hexaaluminate ;  Chemical state of Fe ;  Rietveld refinement ;  Mossbauer spectroscopy ;  N2O decomposition
刊名: JOURNAL OF CATALYSIS
发表日期: 2011-10-27
DOI: 10.1016/j.jcat.2011.08.001
卷: 283, 期:2, 页:149-160
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Engineering, Chemical
研究领域[WOS]: Chemistry ;  Engineering
英文摘要: The catalytic activity of hexaaluminate is closely related to the chemical state of substituted active metal ions. In this paper, the mechanism of stabilization of Fe ions in beta(1)-Al2O3 and magnetoplumbite-type Fe-substituted Ba hexaaluminates was proposed at the molecule level on the basis of X-ray diffraction, Rietveld refinement, and Mossbauer spectroscopy. Fe3+ ions originated from oxidic entities dispersed on Ba-modified gamma-Al2O3 mainly entered into the sites in the loosely packed mirror plane of the hexaaluminates. In particular, Fe3+ ions at low concentration preferentially occupied the tetrahedral Al(5) sites of the beta(1)-Al2O3 phase, while Fe3+ ions at high concentration mainly occupied the trigonal bipyramidal Al(5) and octahedral Al(3) sites in the magnetoplumbite phase. Meanwhile, tetrahedral Fe3+ ions in the intermediate spinel-type BaAl2O4 phase preferentially entered into the tetrahedral Al(2) sites in the spinel block of hexaaluminates. Fe ions in the Al(5) sites of beta(1)-Al2O3 and the Al(3) sites of magnetoplumbite phase were highly active for N2O decomposition. (C) 2011 Elsevier Inc. All rights reserved.
关键词[WOS]: TEMPERATURE CATALYTIC COMBUSTION ;  NITROUS-OXIDE DECOMPOSITION ;  DENSITY-FUNCTIONAL THEORY ;  CRYSTAL-STRUCTURE ;  BETA-ALUMINA ;  N2O DECOMPOSITION ;  PARTIAL OXIDATION ;  SUBSTITUTED BA-BETA-AL2O3 ;  CATION VALENCE ;  METHANE
语种: 英语
WOS记录号: WOS:000296678500005
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142301
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

Recommended Citation:
Zhu, Yanyan,Wang, Xiaodong,Wang, Aiqin,et al. Identification of the chemical state of Fe in barium hexaaluminate using Rietveld refinement and Fe-57 Mossbauer spectroscopy[J]. JOURNAL OF CATALYSIS,2011,283(2):149-160.
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