Distinct effects of al3+ doping on the structure and properties of hexagonal turbostratic birnessite: a comparison with fe3+ doping
文献类型：期刊论文
| 作者 | Yin, Hui1; Kwon, Kideok D.2; Lee, Jin-Yong2; Shen, Yi1; Zhao, Huaiyan1; Wang, Xiaoming1; Liu, Fan1; Zhang, Jing3; Feng, Xionghan1 |
| 刊名 | Geochimica et cosmochimica acta
 |
| 出版日期 | 2017-07-01 |
| 卷号 | 208页码:268-284 |
| ISSN号 | 0016-7037 |
| 关键词 | Birnessite Al3+ Fe3+ X-ray absorption spectroscopy Density functional theory |
| DOI | 10.1016/j.gca.2017.03.040 |
| 通讯作者 | Feng, xionghan(fxh73@mail.hzau.edu.cn) |
| 英文摘要 | Hexagonal turbostratic birnessite, one of the most reactive mn oxide minerals, is ubiquitous throughout the ocean floor to the surface environment. during its crystallization, birnessite may coexist with al3+, which is the third most abundant crustal element. however, interactions of al3+ with birnessite compared to the transition metal (tm) ions have rarely been explored thus far. this study examines the structure and properties of al3+-doped hexagonal turbostratic birnessite to obtain insights into the interaction of metal cations with birnessite-like minerals in natural environments. for al3+-incorporated birnessite, the crystal chemistry of al3+, as well as alteration in the mineral structure, physicochemical properties, and reactivity toward the sorption of pb2+/zn2+ is investigated by powder x-ray diffraction, chemical analysis, fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy, and x-ray absorption spectroscopy. electronic structure calculations based on density functional theory (dft) are further combined to aid in the experimental interpretation of al3+ incorporation. as a comparative system, fe3+-coprecipitated birnessite is also examined. under the experimental conditions used, only a small amount of al3+ is incorporated into birnessite, with a final al/(al + mn) molar ratio of similar to 0.07, whereas fe3+ is incorporated into birnessite with a final fe/(fe + mn) molar ratio of up to similar to 0.21. irrespective of metal type, the incorporation of a metal cation significantly alters the physicochemical properties of birnessite, such as decrease in the thickness of crystals along the c* axis and coherent scattering domain sizes in the a-b plane and the mn average oxidation state, increase in the specific surface area and the total amount of hydroxyl groups, in which the contents of hydroxyl groups around vacancies are decreased. the lattice parameters in the a-b plane tend to decrease in al-incorporated birnessites but first significantly decrease and then increase in fe-incorporated birnessites. in fe-incorporated birnessites, similar to 32-50% of the total fe3+ is located inside the mn octahedral sheets (inc species). in al-incorporated birnessites, the edge-and corner-sharing mn-mn distances gradually decrease. density function theory (dft) computation results support that the dominant species in al-birnessite is a triple-corner-sharing complex on vacancies. the dft geometry optimization further demonstrates that the in-plane cell size experimentally observed for these birnessites depends on not only the metal type but also its position in the mineral. the alor fe-birnessites exhibit significantly increased adsorption capacities for pb2+ but reduced capacities for zn2+. the metal incorporation effects on the chemical reactivity are discussed with the observed changes in the particle size and available vacancy sites. (c) 2017 elsevier ltd. all rights reserved. |
| WOS关键词 | X-RAY-DIFFRACTION ; ABSORPTION FINE-STRUCTURE ; CRYSTAL-STRUCTURE DETERMINATIONS ; METAL SORBED BIRNESSITE ; MANGANESE OXIDES ; INFRARED-SPECTROSCOPY ; PHYLLOMANGANATE NANOPARTICLES ; RICH BIRNESSITE ; EDGE SURFACES ; PARTICLE-SIZE |
| WOS研究方向 | Geochemistry & Geophysics |
| WOS类目 | Geochemistry & Geophysics |
| 语种 | 英语 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| WOS记录号 | WOS:000402489500015 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2177378 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Feng, Xionghan |
| 作者单位 | 1.Huazhong Agr Univ, Coll Resources & Environm, Minist Agr, Key Lab Arable Land Conservat Middle & Lower Reac, Wuhan 430070, Peoples R China 2.Kangwon Natl Univ, Dept Geol, Chunchon 24347, South Korea 3.Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yin, Hui,Kwon, Kideok D.,Lee, Jin-Yong,et al. Distinct effects of al3+ doping on the structure and properties of hexagonal turbostratic birnessite: a comparison with fe3+ doping[J]. Geochimica et cosmochimica acta,2017,208:268-284. |
| APA | Yin, Hui.,Kwon, Kideok D..,Lee, Jin-Yong.,Shen, Yi.,Zhao, Huaiyan.,...&Feng, Xionghan.(2017).Distinct effects of al3+ doping on the structure and properties of hexagonal turbostratic birnessite: a comparison with fe3+ doping.Geochimica et cosmochimica acta,208,268-284. |
| MLA | Yin, Hui,et al."Distinct effects of al3+ doping on the structure and properties of hexagonal turbostratic birnessite: a comparison with fe3+ doping".Geochimica et cosmochimica acta 208(2017):268-284. |
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