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

Chun Hao Huang; Chun Chih Chang; Elise Y. Li

doi:10.1039/c9cp04675e

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

Chun Hao Huang, Chun Chih Chang, Elise Y. Li^*

^*此作品的通信作者

化學系

研究成果: 雜誌貢獻 › 期刊論文 › 同行評審

2 引文斯高帕斯（Scopus）

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 Li_xTiS₂(en) follows the Rüdorff 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.

原文	英語
頁（從 - 到）	12389-12394
頁數	6
期刊	Physical Chemistry Chemical Physics
卷	22
發行號	22
DOIs	https://doi.org/10.1039/c9cp04675e
出版狀態	已發佈 - 2020 6月 14

ASJC Scopus subject areas

一般物理與天文學
物理與理論化學

UN SDG

此研究成果有助於以下永續發展目標

存取文件

10.1039/c9cp04675e

其它文件與鏈接

引用此

@article{b7839164f1174c19b12f04110766bfb2,

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

abstract = "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 LixTiS2(en) follows the R{\"u}dorff 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.",

author = "Huang, {Chun Hao} and Chang, {Chun Chih} and Li, {Elise Y.}",

note = "Publisher Copyright: {\textcopyright} the Owner Societies 2020.",

year = "2020",

month = jun,

day = "14",

doi = "10.1039/c9cp04675e",

language = "English",

volume = "22",

pages = "12389--12394",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "22",

}

TY - JOUR

T1 - A computational exploration of the 1D TiS2(en) nanostructure for lithium ion batteries

AU - Huang, Chun Hao

AU - Chang, Chun Chih

AU - Li, Elise Y.

PY - 2020/6/14

Y1 - 2020/6/14

N2 - 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 LixTiS2(en) follows the Rüdorff 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.

AB - 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 LixTiS2(en) follows the Rüdorff 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.

UR - http://www.scopus.com/inward/record.url?scp=85086346530&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85086346530&partnerID=8YFLogxK

U2 - 10.1039/c9cp04675e

DO - 10.1039/c9cp04675e

M3 - Article

C2 - 32285068

AN - SCOPUS:85086346530

SN - 1463-9076

VL - 22

SP - 12389

EP - 12394

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 22

ER -