First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones
文献类型：期刊论文
| 作者 | Jian GaoHong Li; Xia Lu; Yang Sun; Heping Li; Yu He |
| 刊名 | Geophysical Research Letters
 |
| 出版日期 | 2016 |
| 卷号 | 43期号:12页码:6228-6233 |
| 英文摘要 | Materials sharing the hollandite structure were widely reported as fast ionic conductors. However, the ionic conductivity of KAlSi3O8 hollandite (K-hollandite), which can be formed during the subduction process, has not been investigated so far. Here first-principles calculations are used to investigate the potassium ion (K+) transport properties in K-hollandite. The calculated K+ migration barrier energy is 0.44 eV at a pressure of 10 GPa, an energy quite small to block the K+ migration in K-hollandite channels. The calculated ionic conductivity of K-hollandite is highly anisotropic and depends on its concentration of K+ vacancies. About 6% K+ vacancies in K-hollandite can lead to a higher conductivity compared to the conductivity of hydrated wadsleyite and ringwoodite in the mantle. K+ vacancies being commonly found in many K-hollandite samples with maximum vacancies over 30%, the formation of K-hollandite during subduction of continental or alkali-rich oceanic crust can contribute to the high conductivity anomalies observed in subduction zones. |
| 学科主题 | 地球深部物质与流体作用地球化学 |
| 语种 | 英语 |
| 公开日期 | 2017-11-21 |
| 源URL | [http://ir.gyig.ac.cn:8080/handle/352002/6521]  |
| 专题 | 地球化学研究所_地球内部物质高温高压实验室_地球内部物质高温高压实验室_期刊论文 |
| 推荐引用方式 GB/T 7714 | Jian GaoHong Li,Xia Lu,Yang Sun,et al. First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones[J]. Geophysical Research Letters,2016,43(12):6228-6233. |
| APA | Jian GaoHong Li,Xia Lu,Yang Sun,Heping Li,&Yu He.(2016).First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones.Geophysical Research Letters,43(12),6228-6233. |
| MLA | Jian GaoHong Li,et al."First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones".Geophysical Research Letters 43.12(2016):6228-6233. |
入库方式： OAI收割
来源：地球化学研究所
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