Atomistic potential for graphene and other sp2carbon systems-Reference-Cited by-同舟云学术

Atomistic potential for graphene and other sp2carbon systems

Published:2017 Issue:45 Volume:19 Page:30925-30932
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fthenakis Zacharias G.¹²³⁴⁵^ORCID,Kalosakas George⁶⁷⁸⁴⁹^ORCID,Chatzidakis Georgios D.⁵¹⁰¹¹¹²⁴,Galiotis Costas¹³⁷¹⁴⁴¹⁵^ORCID,Papagelis Konstantinos¹⁵¹⁶¹⁷⁴¹⁸,Lathiotakis Nektarios N.¹⁹²⁰²¹²²⁴^ORCID

Affiliation:

1. Institute of Electronic Structure and Laser

2. FORTH

3. Heraklion

4. Greece

5. Department of Physics

6. Materials Science Department

7. University of Patras

8. Rio GR-26504

9. Crete Center for Quantum Complexity and Nanotechnology (CCQCN)

10. National Technical University of Athens

11. GR-15780

12. Athens

13. Chemical Engineering Department

14. Rio

15. ICE-HT/FORTH

16. PO Box 1414

17. GR-26504 Rio

18. Physics Department

19. Theoretical and Physical Chemistry Institute

20. National Hellenic Research Foundation

21. Vass. Constantinou 48

22. GR-11635 Athens

Abstract

We introduce a torsional force field for sp²carbon to augment an in-plane atomistic potential of a previous work [G. Kalosakaset al.,J. Appl. Phys., 2013,113, 134307] so that it is applicable to out-of-plane deformations of graphene and related carbon materials.

Funder

H2020 European Research Council

General Secretariat for Research and Technology

European Social Fund

Ministry of National Education and Religious Affairs

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP06362H

Reference69 articles.