Structual characterization of high-performance co-polymer lithium storage material by exafs and dft calculations
文献类型：期刊论文
| 作者 | Kong, Qingyu1; Guo, Bingkun2; Baudelet, Francois1; Zhu, Ying3; Mao, Ya2; Wang, Zhaoxiang2; Wan, Meixiang4; Chen, Liquan2 |
| 刊名 | Journal of new materials for electrochemical systems
 |
| 出版日期 | 2011 |
| 卷号 | 14期号:1页码:31-37 |
| ISSN号 | 1480-2422 |
| 通讯作者 | Kong, qingyu(quingyu.kong@synchrotron-soleil.fr) |
| 英文摘要 | A polymer-coated co(3)o(4) composite was electrochemically induced to be a high-performance lithium-storage material. the structure of the composite before and after electrochemical charge/discharge cycling was determined by extended x-ray absorption fine structure spectroscopy (exafs) and density functional theory (df7) calculations. it is found that polymer coating does not disturb the structure of commercial co(3)o(4); no coordinates are recognized between co and the polymer in the as-prepared composite. in contrast, strong coordination occurs between co and n atoms in the discharged composite. data fitting to the experimental exafs signal yields an average atomic distance of r(co-n) = 1.91 angstrom and a co-n coordination number of 2 for the first shell. the near, edge absorption (xanes) signal also indicates the change of oxidation state of cobalt after discharge. a two-layer geometry of the co-polymer coordinate is optimized from dft calculations. the simulated exafs signal from this structure can fit the experimental data very well. it is suggested that the strong co-n coordination weakens the c-h bonds of the polymer during discharge and makes them electrochemically active to store lithium ions, transferring the polymer to a high performance lithium-storage material. |
| WOS关键词 | RAY-ABSORPTION SPECTROSCOPY ; SOLUTION SCATTERING REVEALS ; RECHARGEABLE BATTERIES ; ION BATTERIES ; SYSTEM ; RU-3(CO)(12) ; PHOTOLYSIS ; EXCHANGE ; DENSITY ; ANODES |
| WOS研究方向 | Electrochemistry ; Materials Science |
| WOS类目 | Electrochemistry ; Materials Science, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000290884600005 |
| 出版者 | ECOLE POLYTECHNIQUE MONTREAL |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2373763 |
| 专题 | 物理研究所 |
| 通讯作者 | Kong, Qingyu |
| 作者单位 | 1.Soc Civile Synchrotron SOLEILL, F-91192 Gif Sur Yvette, France 2.Chinese Acad Sci, Inst Phys, Lab Solid State Ion, Beijing 100190, Peoples R China 3.Beijing Univ Aeronaut & Astronaut, Sch Chem & Environm, Beijing 100191, Peoples R China 4.Chinese Acad Sci, Inst Chem, Organ Solid Lab, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Kong, Qingyu,Guo, Bingkun,Baudelet, Francois,et al. Structual characterization of high-performance co-polymer lithium storage material by exafs and dft calculations[J]. Journal of new materials for electrochemical systems,2011,14(1):31-37. |
| APA | Kong, Qingyu.,Guo, Bingkun.,Baudelet, Francois.,Zhu, Ying.,Mao, Ya.,...&Chen, Liquan.(2011).Structual characterization of high-performance co-polymer lithium storage material by exafs and dft calculations.Journal of new materials for electrochemical systems,14(1),31-37. |
| MLA | Kong, Qingyu,et al."Structual characterization of high-performance co-polymer lithium storage material by exafs and dft calculations".Journal of new materials for electrochemical systems 14.1(2011):31-37. |
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