First-principles study on screening doped TiO2(B) as an anode material with high conductivity and low lithium transport resistance for lithium-ion batteries-Reference-Cited by-同舟云学术

First-principles study on screening doped TiO2(B) as an anode material with high conductivity and low lithium transport resistance for lithium-ion batteries

Published:2019 Issue:32 Volume:21 Page:17985-17992
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gao Denglei¹²³⁴⁵,Wang Yanlei⁶⁷⁸⁹¹⁰^ORCID,Kong Jing⁶⁷⁸⁹¹⁰,Huo Feng⁶⁷⁸⁹¹⁰^ORCID,Wang Sufan¹²³⁴⁵,He Hongyan⁶⁷⁸⁹¹⁰^ORCID,Zhang Suojiang⁶⁷⁸⁹¹⁰

Affiliation:

1. College of Chemistry and Material Science

2. The Key Laboratory of Functional Molecular Solids

3. Ministry of Education

4. Anhui Laboratory of Molecule-Based Materials

5. Anhui Normal University

6. Beijing Key Laboratory of Ionic Liquids Clean Process

7. CAS Key Laboratory of Green Process and Engineering

8. State Key Laboratory of Multiphase Complex Systems

9. Institute of Process Engineering

10. Chinese Academy of Sciences

Abstract

We report how non-metal dopants affect the diffusion of Li in TiO₂(B) completely using first-principles calculations.

Funder

Natural Science Foundation of Beijing Municipality

Youth Innovation Promotion Association of the Chinese Academy of Sciences

National Natural Science Foundation of China

National Basic Research Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01885A

Reference58 articles.

1. Issues and challenges facing rechargeable lithium batteries

2. Metal Organic Framework-Templated Synthesis of Bimetallic Selenides with Rich Phase Boundaries for Sodium-Ion Storage and Oxygen Evolution Reaction

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4. Lithium Insertion in Nanostructured TiO2(B) Architectures

5. Thermodynamics of Lithium in TiO2(B) from First Principles

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