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Local hydrated structure of an Fe~(2+)/Fe~(3+) aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods
Ye Q(叶青); Chen X(陈兴); Zhou J(周靖); Zhao HF(赵海峰); Chu WS(储旺盛); Zheng XS(郑旭升); Augusto.Marcelli; Wu ZY(吴自玉)
2013
发表期刊Chinese Physics C
期号3页码:122-127
通讯作者吴自玉
摘要The hydrated shell of both Fe2+ and Fe3+ aqueous solutions are investigated by using the molecular dynamics (MD) and X-ray absorption structure (XAS) methods. The MD simulations show that the first hydrated shells of both Fe2+ and Fe3+ are characterized by a regular octahedron with an Fe-O distance ...
关键词Fe2+ and Fe3+ aqueous solution XAS molecular dynamics
项目资助者Supported by Knowledge Innovation Program of the Chinese Academy of Sciences (KJCX2-YW-N42) ; Key Important Project of National Natural Science Foundation of China (10734070) ; National Natural Science Foundation of China (NSFC 11079031, 10805055,10905067) ; National Basic Research Program of Chi...
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/223019
专题多学科研究中心
推荐引用方式
GB/T 7714
Ye Q,Chen X,Zhou J,et al. Local hydrated structure of an Fe~(2+)/Fe~(3+) aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods[J]. Chinese Physics C,2013(3):122-127.
APA 叶青.,陈兴.,周靖.,赵海峰.,储旺盛.,...&吴自玉.(2013).Local hydrated structure of an Fe~(2+)/Fe~(3+) aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods.Chinese Physics C(3),122-127.
MLA 叶青,et al."Local hydrated structure of an Fe~(2+)/Fe~(3+) aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods".Chinese Physics C .3(2013):122-127.
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