Towards an atomistic understanding of disordered carbon electrode materials

被引：91

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：

欧洲研究理事会; 英国工程与自然科学研究理事会;

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

共 44 条

[11] Hybrid Reverse Monte Carlo simulation of amorphous carbon: Distinguishing between competing structures obtained using different modeling protocols
Farmahini, Amir H.
Bhatia, Suresh K.
[J]. CARBON, 2015, 83 : 53 - 70
[12] Direct observation of ion dynamics in supercapacitor electrodes using in situ diffusion NMR spectroscopy
Forse, Alexander C.
Griffin, John M.
Merlet, Celine
Carretero-Gonzalez, Javier
Raji, Abdul-Rahman O.
Trease, Nicole M.
Grey, Clare P.
[J]. NATURE ENERGY, 2017, 2 (03):
[13] New Perspectives on the Charging Mechanisms of Supercapacitors
Forse, Alexander C.
Merlet, Celine
Griffin, John M.
Grey, Clare P.
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 138 (18) : 5731 - 5744
[14] New Insights into the Structure of Nanoporous Carbons from NMR, Raman, and Pair Distribution Function Analysis
Forse, Alexander C.
Merlet, Celine
Allan, Phoebe K.
Humphreys, Elizabeth K.
Griffin, John M.
Aslan, Mesut
Zeiger, Marco
Presser, Volker
Gogotsi, Yury
Grey, Clare P.
[J]. CHEMISTRY OF MATERIALS, 2015, 27 (19) : 6848 - 6857
[15] Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures
Fujikake, So
Deringer, Volker L.
Lee, Tae Hoon
Krynski, Marcin
Elliott, Stephen R.
Csanyi, Gabor
[J]. JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (24)
[16] Mesoporous and Graphitic Carbide-Derived Carbons as Selective and Stable Catalysts for the Dehydrogenation Reaction
Glaesel, Jan
Diao, Jiangyong
Feng, Zhenbao
Hilgart, Markus
Wolker, Thomas
Su, Dang Sheng
Etzold, Bastian J. M.
[J]. CHEMISTRY OF MATERIALS, 2015, 27 (16) : 5719 - 5725
[17] Griffin JM, 2015, NAT MATER, V14, P812, DOI [10.1038/nmat4318, 10.1038/NMAT4318]
[18] Carbonaceous Electrode Materials for Supercapacitors
Hao, Long
Li, Xianglong
Zhi, Linjie
[J]. ADVANCED MATERIALS, 2013, 25 (28) : 3899 - 3904
[19] Imaging the atomic structure of activated carbon
Harris, Peter J. F.
Liu, Zheng
Suenaga, Kazu
[J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (36)
[20] Review-Hard Carbon Negative Electrode Materials for Sodium-Ion Batteries
Irisarri, E.
Ponrouch, A.
Palacin, M. R.
[J]. JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2015, 162 (14) : A2476 - A2482

← 1 2 3 4 5 →