A computational exploration of the 1D TiS2(en) nanostructure for lithium ion batteries

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题名:	A computational exploration of the 1D TiS2(en) nanostructure for lithium ion batteries
作者:	Huang, CH (Huang, Chun-Hao) Chang, CC (Chang, Chun-Chih) Li, EY (Li, Elise Y.)
贡献者:	化材系
关键词:	PERFORMANCE ANODE MATERIALS TRANSITION-METAL SULFIDES 1ST PRINCIPLES INTERCALATION CONVERSION ENERGY NANOPARTICLES CHALLENGES ELECTRODES STABILITY
日期:	2020-06-14
上传时间:	2020-11-03 15:41:11 (UTC+8)
摘要:	First-principles investigations on 1D TiS2(en) are performed to evaluate its potential as an electrode for lithium ion batteries. The intercalation of lithium ions into LixTiS(2)(en) follows the Rudorff model and the lithium ions are predicted to diffuse along the one-dimensional axis of the TiS2(en) nanostructure with a small diffusion barrier of 0.27 eV.
關聯:	PHYSICAL CHEMISTRY CHEMICAL PHYSICS 卷冊: 22 期: 22 頁數: 12389-12394
显示于类别:	[Department of Chemical & Materials Engineering] journal articles

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