From chemistry to mechanics: bulk modulus evolution of Li-Si and Li-Sn alloys via the metallic electronegativity scale
文献类型：期刊论文
| 作者 | Li KY ; Xie H ; Liu J ; Ma ZS ; Zhou YC ; Xue DF |
| 刊名 | physical chemistry chemical physics
 |
| 出版日期 | 2013 |
| 卷号 | 15期号:40页码:17658-17663 |
| 关键词 | LITHIUM-ION BATTERIES 1ST PRINCIPLES THERMOELASTICITY COMPRESSIBILITY INTERMETALLIC COMPOUNDS ELECTRODE MATERIALS ELASTIC PROPERTIES SILICON 1ST-PRINCIPLES PREDICTION TIN |
| ISSN号 | 1463-9076 |
| 通讯作者 | xue df |
| 中文摘要 | toward engineering high performance anode alloys for li-ion batteries, we proposed a useful method to quantitatively estimate the bulk modulus of binary alloys in terms of metallic electronegativity (en), alloy composition and formula volume. on the basis of our proposed potential viewpoint, en as a fundamental chemistry concept can be extended to be an important physical parameter to characterize the mechanical performance of li-si and li-sn alloys as anode materials for li-ion batteries. the bulk modulus of binary alloys is linearly proportional to the combination of average metallic en and atomic density of alloys. we calculated the bulk moduli of li-si and li-sn alloys with different li concentrations, which can agree well with the reported data. the bulk modulus of li-si and li-sn alloys decreases with increasing li concentration, leading to the elastic softening of the alloys, which is essentially caused by the decreased strength of constituent chemical bonds in alloys from the viewpoint of en. this work provides a deep understanding of mechanical failure of si and sn anodes for li-ion batteries, and permits the prediction of the composition dependent bulk modulus of various lithiated alloys on the basis of chemical formula, metallic en and cell volume (or alloy density), with no structural details required. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000325398500072 |
| 公开日期 | 2014-04-16 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/50169]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li KY,Xie H,Liu J,et al. From chemistry to mechanics: bulk modulus evolution of Li-Si and Li-Sn alloys via the metallic electronegativity scale[J]. physical chemistry chemical physics,2013,15(40):17658-17663. |
| APA | Li KY,Xie H,Liu J,Ma ZS,Zhou YC,&Xue DF.(2013).From chemistry to mechanics: bulk modulus evolution of Li-Si and Li-Sn alloys via the metallic electronegativity scale.physical chemistry chemical physics,15(40),17658-17663. |
| MLA | Li KY,et al."From chemistry to mechanics: bulk modulus evolution of Li-Si and Li-Sn alloys via the metallic electronegativity scale".physical chemistry chemical physics 15.40(2013):17658-17663. |
入库方式： OAI收割
来源：长春应用化学研究所
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