Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packing-Reference-Cited by-同舟云学术

Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packing

Author:

de Lara-Castells María Pilar¹²³^ORCID,Hauser Andreas W.⁴⁵⁶⁷^ORCID,Mitrushchenkov Alexander O.⁸⁹¹⁰¹¹¹²^ORCID,Fernández-Perea Ricardo¹³²³^ORCID

Affiliation:

1. Instituto de Fsica Fundamental (C.S.I.C.)

2. Madrid

3. Spain

4. Institute of Experimental Physics

5. Graz University of Technology

6. A-8010 Graz

7. Austria

8. Université Paris-Est

9. Laboratoire Modélisation et Simulation Multi Echelle

10. MSME UMR 8208 CNRS

11. 77454 Marne-la-Vallée

12. France

13. Instituto de Estructura de la Materia (C.S.I.C.)

Abstract

This study shows ab initio evidence for hexagonal close packing of D₂ molecules in carbon nanotubes, with a = 3.6 Å and .

Funder

European Cooperation in Science and Technology

Consejo Superior de Investigaciones Científicas

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference63 articles.

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