A combined first-principles computational/experimental study on LiNi0.66Co0.17Mn0.17O2 as a potential layered cathode material

被引：26

作者：

Saavedra-Arias, Jose J. ^{[1
,2
,3
,4
,5
]}

Rao, Chitturi Venkateswara ^{[1
,2
]}

Shojan, Jifi ^{[3
,4
]}

Manivannan, Ayyakkannu ^{[6
]}

Torres, Lorraine ^{[3
,4
]}

Ishikawa, Yasuyuki ^{[1
,2
]}

Katiyar, Ram S. ^{[3
,4
]}

机构：

[1] Univ Puerto Rico, Dept Chem, San Juan, PR 00931 USA

[2] Univ Puerto Rico, Chem Phys Grad Program, San Juan, PR 00931 USA

[3] Univ Puerto Rico, Dept Phys, San Juan, PR 00931 USA

[4] Univ Puerto Rico, Inst Funct Nanomat, San Juan, PR 00931 USA

[5] Univ Nacl, Dept Phys, Heredia 40101, Costa Rica

[6] Dept Energy, Energy Syst Dynam Div, Morgantown, WV 26507 USA

来源：

JOURNAL OF POWER SOURCES | 2012年 / 211卷

关键词：

Lithium-ion batteries; Layered cathode; First-principles calculations; Capacity; ELECTROCHEMICAL PROPERTIES; LI-ION; AB-INITIO; ELECTRODE MATERIALS; ENERGY-STORAGE; LITHIUM; BATTERIES; PERFORMANCE; LINI0.8CO0.2O2; INTERCALATION;

D O I：

10.1016/j.jpowsour.2012.02.029

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：

First-principles calculations are used to analyze the phase stability, formation energy, and Li intercalation potential for a series of layered cathode materials. The calculations show LiNi0.66Co0.17Mn0.17O2 as a promising cathode for lithium-ion batteries. The layer-structured LiNi0.66Co0.17Mn0.17O2 is prepared via wet chemical route, followed by annealing at 1123 K and characterized using powder X-ray diffraction, scanning electron microscopy, and X-ray photoelectron spectroscopy. The characterization techniques reveal single-phase LiNi0.66Co0.17Mn0.17O2 with highly ordered structure. Galvanostatic charge-discharge curves recorded at 1C show the discharge capacity of ca. 167 mAh g(-1) and good cyclic performance for 25 cycles. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：12 / 18

页数：7

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[1] Reversibility of LiNiO2 cathode [J].