Storage of Na in 2D SnS for Na ion batteries: a DFT prediction

Author:

Butt Mehwish Khalid1,Rehman Javed2,Yang Zhao3ORCID,Wang Shuanhu1ORCID,El-Zatahry Ahmed4ORCID,Alofi Ayman S.5ORCID,Albaqami Munirah D.6,Alotabi Reham Ghazi6,Laref Amel7ORCID,Jin Kexin1,Shibl Mohamed F.8ORCID

Affiliation:

1. Shaanxi Key Laboratory of Condensed Matter Structures and Properties and MOE Key Laboratory of Materials Physics and Chemistry under Extraordinary Conditions, School of Physical Science and Technology, Northwestern Polytechnical University, Xi’an 710072, China

2. Department of Physics, Balochistan University of Information Technology, Engineering and Management Sciences (BUITEMS), Quetta 87300, Pakistan

3. Hebei Normal University, Shijiazhuang, Hebei 050024, China

4. Materials Science, College of Arts and Sciences, Qatar University, Doha 2713, Qatar

5. Department of Physics, College of Science, Taibah University, Medina, Saudi Arabia

6. Department of Chemistry, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia

7. Department of Physics and Astronomy, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia

8. Renewable Energy Program, Center for Sustainable Development, College of Arts and Sciences, Qatar University, Doha 2713, Qatar

Abstract

The high binding energy adsorption sites of the SnS monolayer and the low diffusion barrier for Na migration depict a fast sodiation and desodiation process.

Funder

Natural Science Basic Research Program of Shaanxi Province

Fundamental Research Funds for the Central Universities

King Saud University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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