The electronic structure and stability of germanium tubes Ge30H12 and Ge33H12-Reference-Cited by-同舟云学术

The electronic structure and stability of germanium tubes Ge30H12 and Ge33H12

Published:2018 Issue:36 Volume:20 Page:23467-23479
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duong Long Van¹²³⁴^ORCID,Matito Eduard⁵⁶⁷⁸⁹^ORCID,Solà Miquel¹⁰¹¹¹²⁷^ORCID,Behzadi Hadi¹³¹⁴¹⁵¹⁶¹⁷^ORCID,Momeni Mohammad Jafar¹³¹⁴¹⁵¹⁶¹⁷,Nguyen Minh Tho¹²³⁴¹⁸^ORCID

Affiliation:

1. Institute for Computational Science and Technology (ICST)

2. Quang Trung Software City

3. Ho Chi Minh City

4. Vietnam

5. Donostia International Physics Center (DIPC)

6. Donostia

7. Spain

8. Ikerbasque Foundation for Science

9. 48011 Bilbao

10. Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química

11. Universitat de Girona

12. 17003 Girona

13. Department of Physical Chemistry

14. Faculty of Chemistry

15. Kharazmi University

16. Tehran

17. Iran

18. Department of Chemistry

Abstract

To explore the possibility of large cylindrical Ge clusters, we investigated the molecular and electronic structure of the germanium tube Ge₃₀H₁₂, composed of six parallel, planar hexagons using DFT calculations, and Ge₃₃H₁₂ generated from the insertion of Ge atoms at the center of three inner hexagons of Ge₃₀H₁₂.

Funder

Kharazmi University

Ministerio de Economía y Competitividad

Eusko Jaurlaritza

Generalitat de Catalunya

Ikerbasque, Basque Foundation for Science

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/C8CP03737J