DOI: 10.1002/2016GL069084
论文题名: First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones
作者: He Y. ; Sun Y. ; Lu X. ; Gao J. ; Li H. ; Li H.
刊名: Geophysical Research Letters
ISSN: 0094-9543
EISSN: 1944-9274
出版年: 2016
卷: 43, 期: 12 起始页码: 6228
结束页码: 6233
语种: 英语
英文关键词: high conductivity anomalies
; hollandite
; KAlSi3O8
; subduction zone
; superionic conductor
Scopus关键词: Ionic conductivity
; High conductivity
; Hollandites
; KAlSi3O8
; Subduction zones
; Super ionic conductors
; Calculations
; anisotropy
; concentration (composition)
; conductivity
; mantle
; oceanic crust
; potassium
; prediction
; ringwoodite
; sampling
; subduction zone
; wadsleyite
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. ©2016. American Geophysical Union. All Rights Reserved. URL: https://www.scopus.com/inward/record.uri?eid=2-s2.0-84977588411&doi=10.1002%2f2016GL069084&partnerID=40&md5=6a63b6c9c7f385546a18245af04a3dfd
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/10506
Appears in Collections: 科学计划与规划 气候变化与战略
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作者单位: Key Laboratory of High-Temperature and High-Pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, China
Recommended Citation:
He Y.,Sun Y.,Lu X.,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,2016-01-01,43(12).