Role of transition metals in a charge transfer mechanism and oxygen removal in Li1.17Ni0.17Mn0.5Co0.17O2: experimental and first-principles analysis-Reference-Cited by-同舟云学术

Role of transition metals in a charge transfer mechanism and oxygen removal in Li1.17Ni0.17Mn0.5Co0.17O2: experimental and first-principles analysis

Published:2018 Issue:29 Volume:20 Page:19606-19613
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sarkar Tanmay¹²³⁴⁵,Prakasha Kunkanadu R.⁵⁶⁴⁷⁸,Bharadwaj Mridula Dixit¹²³⁴,Prakash Annigere S.⁷⁸⁶⁴^ORCID

Affiliation:

1. Center for Study of Science

2. Technology and Policy (CSTEP)

3. Bangalore 560094

4. India

5. Academy of Scientific and Innovative Research (AcSIR)

6. Chennai 600113

7. CSIR Central Electrochemical Research Institute

8. Chennai Unit

Abstract

First principles calculations based on density functional theory were performed to understand the charge transfer mechanism and oxygen binding energy in Li_1.17Ni_0.17Mn_0.5Co_0.17O₂.

Funder

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03148G

Reference39 articles.

1. Electrochemical and Structural Properties of xLi2M‘O3·(1−x)LiMn0.5Ni0.5O2 Electrodes for Lithium Batteries (M‘ = Ti, Mn, Zr; 0 ≤ x ⩽ 0.3)

2. Advances in manganese-oxide ‘composite’ electrodes for lithium-ion batteries

3. Li2MnO3-stabilized LiMO2 (M = Mn, Ni, Co) electrodes for lithium-ion batteries

4. High-capacity lithium insertion materials of lithium nickel manganese oxides for advanced lithium-ion batteries: toward rechargeable capacity more than 300 mA h g−1

5. Integrated Materials xLi[sub 2]MnO[sub 3]⋅(1−x)LiMn[sub 1/3]Ni[sub 1/3]Co[sub 1/3]O[sub 2] (x=0.3, 0.5, 0.7) Synthesized

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