Superlithiation of Organic Electrode Materials: The Case of Dilithium Benzenedipropiolate

被引：103

作者：

Renault, Steven ^{[1
]}

Oltean, Viorica Alina ^{[1
]}

Araujo, C. Moyses ^{[2
]}

Grigoriev, Anton ^{[2
]}

Edstrom, Kristina ^{[1
]}

Brandell, Daniel ^{[1
]}

机构：

[1] Uppsala Univ, Dept Chem, Angstrom Lab, Box 538, S-75121 Uppsala, Sweden

[2] Uppsala Univ, Dept Phys & Astron, Mat Theory Div, Box 516, S-75120 Uppsala, Sweden

来源：

CHEMISTRY OF MATERIALS | 2016年 / 28卷 / 06期

基金：

瑞典研究理事会;

关键词：

LI-ION BATTERY; RECHARGEABLE LITHIUM BATTERIES; MOLECULAR-ORBITAL METHODS; ELECTROCHEMICAL PERFORMANCE; DENSITY; DICARBOXYLATES; EXCHANGE; STORAGE; ANODE;

D O I：

10.1021/acs.chemmater.6b00267

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Dilithium benzenedipropiolate was prepared and investigated as a potential negative electrode material for secondary lithium-ion batteries. In addition to the expected reduction of its carbonyls, this material can reduce and reversibly oxidize its unsaturated carbon carbon bonds leading to a Li/C ratio of 1/1 and a specific capacity as high as 1363 mAh g(-1): the highest ever reported for a lithium carboxylate. Density functional theory calculations suggest that the lithiation is preferential on the propiolate carbons.

引用

页码：1920 / 1926

页数：7

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