The teetotum cluster Li2FeB14 and its possible use for constructing boron nanowires-Reference-Cited by-同舟云学术

The teetotum cluster Li2FeB14 and its possible use for constructing boron nanowires

Published:2020 Issue:26 Volume:22 Page:15013-15021
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shakerzadeh Ehsan¹²³⁴^ORCID,Duong Long Van⁵⁶⁷⁸⁹^ORCID,Pham-Ho My Phuong⁵⁶⁷^ORCID,Tahmasebi Elham¹²³⁴^ORCID,Nguyen Minh Tho¹⁰¹¹⁶⁷¹²^ORCID

Affiliation:

1. Chemistry Department, Faculty of Science

2. Shahid Chamran University of Ahvaz

3. Ahvaz

4. Iran

5. Institute for Computational Science and Technology (ICST)

6. Ho Chi Minh City

7. Vietnam

8. Department of Chemistry

9. Faculty of Natural Sciences

10. Computational Chemistry Research Group

11. Ton Duc Thang University

12. Faculty of Applied Sciences

Abstract

Systematic density functional theory (DFT) calculations using the TPSSh functional and the def2-TZVP basis set were carried out to identify the global energy minimum structure of the Li₂FeB₁₄ cluster.

Funder

Shahid Chamran University of Ahvaz

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02046J

Reference74 articles.

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