First-principles study of Na insertion at TiO2 anatase surfaces: new hints for Na-ion battery design-Reference-Cited by-同舟云学术

First-principles study of Na insertion at TiO2 anatase surfaces: new hints for Na-ion battery design

Published:2020 Issue:7 Volume:2 Page:2745-2751
ISSN:2516-0230
Container-title:Nanoscale Advances
language:en
Short-container-title:Nanoscale Adv.

Author:

Massaro Arianna¹²³⁴⁵^ORCID,Muñoz-García Ana B.⁶²³⁴⁵^ORCID,Maddalena Pasqualino⁶²³⁴⁵,Bella Federico⁷⁸⁹¹⁰⁵^ORCID,Meligrana Giuseppina⁷⁸⁹¹⁰⁵,Gerbaldi Claudio⁷⁸⁹¹⁰⁵^ORCID,Pavone Michele¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemical Sciences

2. Università di Napoli Federico II

3. Comp. Univ. Monte Sant’Angelo

4. 80126 Naples

5. Italy

6. Department of Physics “Ettore Pancini”

7. GAME Lab

8. Department of Applied Science and Technology

9. Politecnico di Torino

10. 10129-Torino

Abstract

We report ab initio simulations of Na insertion mechanism into TiO₂ anatase nanoparticle surfaces. Our results unveil the origin of the observed shape-dependent activities in TiO₂-based Na-ion battery anode.

Funder

Ministero dello Sviluppo Economico

Publisher

Royal Society of Chemistry (RSC)

Subject

General Engineering,General Materials Science,General Chemistry,Atomic and Molecular Physics, and Optics,Bioengineering

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NA/D0NA00230E

Reference37 articles.

1. Review—Practical Issues and Future Perspective for Na-Ion Batteries

2. Sodium and Sodium-Ion Batteries: 50 Years of Research

3. Is lithium the new gold?