Theoretical aspects in structural distortion and the electronic properties of lithium peroxide under high pressure-Reference-Cited by-同舟云学术

Theoretical aspects in structural distortion and the electronic properties of lithium peroxide under high pressure

Published:2018 Issue:14 Volume:20 Page:9488-9497
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jimlim Pornmongkol¹²³⁴⁵,Kotmool Komsilp³⁶⁷⁸^ORCID,Pinsook Udomsilp¹²³⁴⁵^ORCID,Assabumrungrat Suttichai⁹¹⁰⁵¹¹⁸^ORCID,Ahuja Rajeev¹²¹³¹⁴¹⁵¹⁶,Bovornratanaraks Thiti¹²³⁴⁵^ORCID

Affiliation:

1. Extreme Conditions Physics Research Laboratory (ECPRL)

2. Physics of Energy Materials Research Unit

3. Department of Physics

4. Faculty of Science

5. Chulalongkorn University

6. Mahidol Wittayanusorn School

7. Nakhon Pathom 73170

8. Thailand

9. Center of Excellence on Catalysis and Catalytic Reaction Engineering

10. Department of Chemical Engineering

11. Bangkok 10330

12. Condensed Matter Theory Group

13. Department of Physics and Astronomy

14. Uppsala University

15. S-75120 Uppsala

16. Sweden

Abstract

The structural phase transition and electronic properties of Li₂O₂ under pressures up to 500 GPa have been investigated using first-principles calculations.

Funder

Chulalongkorn University

Thailand Research Fund

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/C7CP07293G

Reference39 articles.

1. Ab initio investigation of the effect of pressure on the structure and electronic properties of alkali metal oxides and peroxides

2. U. Wietelmann and M.Steinbild , Ullmann's Encyclopedia of Industrial Chemistry , 2014 , pp. 1–38