Li+ ion conductivity and diffusion mechanism in alpha-Li3N and beta-Li3N
文献类型：期刊论文
| 作者 | Li, Wen1; Wu, Guotao2; Araujo, C. Moyses3; Scheicher, Ralph H.3; Blomqvist, Andreas3; Ahuja, Rajeev3; Xiong, Zhitao2; Feng, Yuanping1; Chen, Ping2 |
| 刊名 | energy & environmental science
 |
| 出版日期 | 2010 |
| 卷号 | 3期号:10页码:1524-1530 |
| 产权排序 | 1;2 |
| 通讯作者 | 陈萍 |
| 英文摘要 | beta-li3n of hexagonal d-6h(4) (p6(3)/mmc) structure was synthesized by high-energy ball milling commercial li3n (composed of both alpha and beta phases). ionic conductivities of alpha-li3n and beta-li3n were tested by direct current (d. c.) and alternating current (a. c.) impedance methods. beta-li3n exhibited the same order of magnitude of li+ ion conductivity (2.085 x 10(-4) s cm(-1)) as that of alpha-li3n (5.767 x 10(-4) s cm(-1)) at room temperature. first-principles calculations were employed to simulate the diffusion mechanism of li+ ion in alpha-li3n and beta-li3n. our results indicate that the diffusion of li+ ion in beta-li3n likely occurs between pure li-beta(1) planes, which is different from that in alpha-li3n, where the diffusion of li+ ion occurs within li2n plane. the li+ ion migration energy barriers (e-m) for alpha-li3n and beta-li3n are 0.007 ev and 0.038 ev, respectively. |
| WOS标题词 | science & technology ; physical sciences ; technology ; life sciences & biomedicine |
| 类目[WOS] | chemistry, multidisciplinary ; energy & fuels ; engineering, chemical ; environmental sciences |
| 研究领域[WOS] | chemistry ; energy & fuels ; engineering ; environmental sciences & ecology |
| 关键词[WOS] | molecular-dynamics simulation ; lithium nitride ; solid electrolytes ; single-crystals ; licl-kcl-li3n systems ; li3n ; nmr ; batteries ; pressure ; energy |
| 收录类别 | SCI |
| 原文出处 | false |
| 语种 | 英语 |
| WOS记录号 | WOS:000282314300017 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/103459]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore 2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 3.Uppsala Univ, Dept Phys & Astron, Condensed Matter Theory Grp, SE-75120 Uppsala, Sweden |
| 推荐引用方式 GB/T 7714 | Li, Wen,Wu, Guotao,Araujo, C. Moyses,et al. Li+ ion conductivity and diffusion mechanism in alpha-Li3N and beta-Li3N[J]. energy & environmental science,2010,3(10):1524-1530. |
| APA | Li, Wen.,Wu, Guotao.,Araujo, C. Moyses.,Scheicher, Ralph H..,Blomqvist, Andreas.,...&Chen, Ping.(2010).Li+ ion conductivity and diffusion mechanism in alpha-Li3N and beta-Li3N.energy & environmental science,3(10),1524-1530. |
| MLA | Li, Wen,et al."Li+ ion conductivity and diffusion mechanism in alpha-Li3N and beta-Li3N".energy & environmental science 3.10(2010):1524-1530. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。