具有定制离子电导率的纳米结构材料的计算机辅助设计。
Computer aided design of nano-structured materials with tailored ionic conductivities.
作者信息
Sayle Dean C, Doig James A, Parker Stephen C, Watson Graeme W, Sayle Thi X T
机构信息
Department of Environmental and Ordnance Systems, Cranfield University, RMCS, Shrivenham, Swindon, UK.
出版信息
Phys Chem Chem Phys. 2005 Jan 7;7(1):16-8. doi: 10.1039/b413107j.
DOI:10.1039/b413107j
PMID:19785169
Abstract
We show, using simulation techniques, that the high ionic conductivity in BaF2/CaF2 heterolayers is because the interfaces reduce the activation energy barriers to mobility and increase the number of charge carriers.
摘要
我们使用模拟技术表明，BaF₂/CaF₂异质层中的高离子电导率是因为界面降低了迁移的活化能垒并增加了载流子数量。
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