版权说明 操作指南
首页 > 成果 > 详情

Unusual Li-Ion Transfer Mechanism in Liquid Electrolytes: A First-Principles Study

认领
导出
Link by 万方学术期刊
反馈
分享
QQ微信 微博
成果类型:
期刊论文
作者:
Tang, Zhen-Kun;Tse, John S.*;Liu, Li-Min*
通讯作者:
Tse, John S.;Liu, Li-Min
作者机构:
[Tang, Zhen-Kun; Tse, JS; Liu, Li-Min; Tse, John S.] Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China.
[Tang, Zhen-Kun] Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421008, Peoples R China.
[Tse, John S.] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada.
通讯机构:
[Tse, JS; Liu, LM] B
[Tse, John S.] U
Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China.
Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada.
语种:
英文
关键词:
Charging (batteries);Diffusion;Electric batteries;Electrodes;Electrolytes;Ions;Liquids;Lithium;Lithium alloys;Molecular dynamics;Secondary batteries;Electrolyte systems;First principles molecular dynamics;First-principles study;Li ion conductivities;Liquid electrolytes;Salt concentration;Solvent molecules;Stokes Einstein equations;Lithium-ion batteries
期刊:
Journal of Physical Chemistry Letters
ISSN:
1948-7185
年:
2016
卷:
7
期:
22
页码:
4795-4801
基金类别:
This work was supported by the National Natural Science Foundation of China (No. 51572016, U1530401, 11447011, 51602092), the Project Funded by China Postdoctoral Science Foundation (No. 2016T90029), the Hunan Provincial Natural Science Foundation of China (No. 2015JJ6013), and the Construct Program for Key Disciplines in Hunan Province.
机构署名:
本校为其他机构
院系归属:
物理与电子工程学院
摘要:
Liquid electrolytes play an important role in commercial lithium-ion (Li-ion) batteries as a conduit for Li-ion transfer between anodes and cathodes. It is generally believed that the Li-ions move along with the salt ions; thus, Li-ion diffusion is only affected by the viscosity and salt concentration in the liquid electrolytes based on the Stokes-Einstein equation. In this study, a novel and faster Li-ion diffusion mechanism in electrolytes containing a cyanogen group is identified from first-principles molecular dynamics (FPMD) simulations. In this mechanism, the Li-ions are first detached f...

反馈

验证码:
看不清楚,换一个
确定
取消

成果认领

标题:
用户 作者 通讯作者
请选择
请选择
确定
取消

提示

该栏目需要登录且有访问权限才可以访问

如果您有访问权限,请直接 登录访问

如果您没有访问权限,请联系管理员申请开通

管理员联系邮箱:yun@hnwdkj.com