ICCAS OpenIR
Formation, distribution, and structures of oxygen-rich iron and cobalt oxide clusters
Yin, Shi1; Xue, Wei1,2; Ding, Xun-Lei1; Wang, Wei-Gang1; He, Sheng-Gui1; Ge, Mao-Fa1
2009-03-15
Source PublicationINTERNATIONAL JOURNAL OF MASS SPECTROMETRY
ISSN1387-3806
Volume281Issue:1-2Pages:72-78
AbstractA time of flight mass spectrometer coupled with a laser ablation/supersonic expansion cluster source is used to study the formation and distribution of cationic iron and cobalt oxide clusters. Although the distributions of iron oxide clusters (Fe(m)O(n)(q), q = 0, +/- 1) have been extensively reported in literature, new and very interesting distribution of Fe(m)O(n)(+) clusters is observed in this study. Under saturated O(2) growth conditions, the smallest (leading) cluster in m = 2k + 1 (k = 2-14) cluster series is with stoichiometry of Fe(2k)O(3k)FeO(+), which is perfect (iron atoms are perfectly oxidized) in terms of average oxidation states of iron (Fe(3+)) and oxygen (O(2-)) atoms. For m = 2k (k = 2-15) cluster series, the leading cluster is either Fe(2k)O(3k)(+) (the least over-oxidized) or Fe(2k)O(3k-1)(+) (the least under-oxidized). Density functional theory (DFT) calculations indicate that these leading clusters are with unexpected Structures although their appearance in the mass spectra is predictable. These clusters may serve as good models for predicting or interpreting novel properties of Fe(2)O(3) nano-materials. The distribution of the cobalt oxide clusters (Co(m)O(n)(+)) under saturated O(2) growth conditions is complex and very different from that of Fe(m)O(n)(+). A very interesting result for cobalt species is that two clusters Co(11)O(13)(+) and Co(12)O(13)(+) are missing in the cluster distribution although their oxygen-neighbor clusters Co(11)O(12,14)(+) and Co(12)O(12,14)(+) are generated. This suggests relatively high stability for Co(11)O(12)(+) and Co(12)O(12)(+) clusters. The DFT calculations predict that Co(12)O(12) cluster are with tower or cage structure rather than the compact NaCl-like arrangement that is found for bulk CoO. (C) 2008 Elsevier B.V. All rights reserved.
KeywordIron Oxide Clusters Cobalt Oxide Clusters Time Of Flight Mass Spectrometry Density Functional Theory
DOI10.1016/j.ijms.2008.12.014
Indexed BySCI
Language英语
WOS IDWOS:000263756000011
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:60[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/66866
Collection中国科学院化学研究所
Corresponding AuthorHe, Sheng-Gui
Affiliation1.Chinese Acad Sci, Inst Chem, BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Yin, Shi,Xue, Wei,Ding, Xun-Lei,et al. Formation, distribution, and structures of oxygen-rich iron and cobalt oxide clusters[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,2009,281(1-2):72-78.
APA Yin, Shi,Xue, Wei,Ding, Xun-Lei,Wang, Wei-Gang,He, Sheng-Gui,&Ge, Mao-Fa.(2009).Formation, distribution, and structures of oxygen-rich iron and cobalt oxide clusters.INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,281(1-2),72-78.
MLA Yin, Shi,et al."Formation, distribution, and structures of oxygen-rich iron and cobalt oxide clusters".INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 281.1-2(2009):72-78.
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