Superionic Diffusion through Frustrated Energy Landscape

被引：114

作者：

Di Stefano, Davide ^{[1
]}

Miglio, Anna ^{[1
]}

Robeyns, Koen ^{[1
]}

Filinchuk, Yaroslav ^{[1
]}

Lechartier, Marine ^{[2
]}

Senyshyn, Anatoliy ^{[3
]}

Ishida, Hiroyuki ^{[4
]}

Spannenberger, Stefan ^{[5
]}

Prutsch, Denise ^{[6
]}

Lunghammer, Sarah ^{[6
]}

Rettenwander, Daniel ^{[6
]}

Wilkening, Martin ^{[6
]}

Roling, Bernhard ^{[5
]}

Kato, Yuki ^{[2
]}

Hautier, Geoffroy ^{[1
]}

机构：

[1] Catholic Univ Louvain, Inst Condensed Matter & Nanosci, Chemin Etoiles 8, B-1348 Louvain La Neuve, Belgium

[2] Toyota Motor Europe NV SA, Adv Technol 1, Battery AT, Hoge Wei 33, B-1930 Zaventem, Belgium

[3] Tech Univ Munich, Heinz Maier Leibnitz Zentrum, D-85748 Garching, Germany

[4] Toray Res Ctr Ltd, 3-3-7 Sonoyama, Otsu, Shiga 5208567, Japan

[5] Philipps Univ Marburg, Dept Chem, D-35032 Marburg, Germany

[6] Graz Univ Technol, Inst Chem & Technol Mat, Stremayrgasse 9, A-8010 Graz, Austria

来源：

CHEM | 2019年 / 5卷 / 09期

关键词：

IONIC-CONDUCTIVITY; CRYSTAL-STRUCTURES; LI; TRANSPORT; DYNAMICS; INTERCALATION; ELECTROLYTES; DISORDER; LI6PS5X; NA;

D O I：

10.1016/j.chempr.2019.07.001

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Solid-state materials with high ionic conduction are necessary for many technologies, including all-solid-state lithium (Li)-ion batteries. Understanding how crystal structure dictates ionic diffusion is at the root of the development of fast ionic conductors. Here, we show that LiTi2(PS4)(3) exhibits a Li-ion diffusion coefficient about an order of magnitude higher than that of current state-of-the-art Li superionic conductors. We rationalize this observation by the unusual crystal structure of LiTi2(PS4)(3), which offers no regular tetrahedral or octahedral sites for Li to favorably occupy. This creates a smooth, frustrated energy landscape resembling the energy landscapes present in liquids more than those in typical solids. This frustrated energy landscape leads to a high diffusion coefficient, combining low activation energy with a high pre-factor.

引用

页码：2450 / 2460

页数：11

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