Towards an atomistic understanding of disordered carbon electrode materials

被引：94

作者：

Deringer, Volker L. ^{[1
,2
]}

Merlet, Celine ^{[2
,3
,4
]}

Hu, Yuchen ^{[2
]}

Lee, Tae Hoon ^{[2
]}

Kattirtzi, John A. ^{[2
,5
]}

Pecher, Oliver ^{[2
,6
]}

Csanyi, Gabor ^{[1
]}

Elliott, Stephen R. ^{[2
]}

Grey, Clare P. ^{[2
]}

机构：

[1] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England

[2] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

[3] Univ Toulouse 3 Paul Sabatier, CIRIMAT, CNRS, INPT, Bat CIRIMAT,118 Route Narbonne, F-31062 Toulouse 9, France

[4] Fed Rech CNRS 3459, Reseau Stockage Electrochim Energie RS2E, F-80039 Amiens, France

[5] Xiamen Univ, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China

[6] NMR Serv GmbH, Blumenstr 70 Haus 3, D-99092 Erfurt, Germany

来源：

CHEMICAL COMMUNICATIONS | 2018年 / 54卷 / 47期

基金：

英国工程与自然科学研究理事会; 欧洲研究理事会;

关键词：

CARBIDE-DERIVED CARBONS; SODIUM-ION BATTERIES; IN-SITU NMR; SOFT CARBON; INSIGHTS; STORAGE; SPECTROSCOPY; CRYSTAL; LITHIUM; ANODES;

D O I：

10.1039/c8cc01388h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Disordered nanoporous and "hard" carbons are widely used in batteries and supercapacitors, but their atomic structures are poorly determined. Here, we combine machine learning and DFT to obtain new atomistic insight into carbonaceous energymaterials. We study structural models of porous and graphitic carbons, and Na intercalation as relevant for sodium- ion batteries.

引用

页码：5988 / 5991

页数：4

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