Formation, distribution, and structures of oxygen-rich iron and cobalt oxide clusters
文献类型：期刊论文
| 作者 | Yin, Shi1; Xue, Wei1,2; Ding, Xun-Lei1; Wang, Wei-Gang1; He, Sheng-Gui1; Ge, Mao-Fa1 |
| 刊名 | INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
 |
| 出版日期 | 2009-03-15 |
| 卷号 | 281期号:1-2页码:72-78 |
| 关键词 | Iron Oxide Clusters Cobalt Oxide Clusters Time Of Flight Mass Spectrometry Density Functional Theory |
| ISSN号 | 1387-3806 |
| DOI | 10.1016/j.ijms.2008.12.014 |
| 英文摘要 | A 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000263756000011 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66865]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | He, Sheng-Gui |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：化学研究所
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