Armchair or zigzag? A tool for characterizing graphene edge

Computer Physics Communications

Volumn 182, Issue 3, 2011, Pages 804-807

  Singh, Abhishek K ^a,b   Penev, Evgeni S ^a   Yakobson, Boris I ^a  

^a RICE UNIVERSITY   (United States)

^b INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

Edge atom types; Fortran 90 95; Graphene; Honeycomb lattice

Indexed keywords

EDGE-ATOMS; EXPERIMENTAL PROBES; FORTRAN 90/95; GRAPHENES; HONEYCOMB LATTICES; NEAREST NEIGHBORS; SOFTWARE TOOL; TIGHT BINDING METHODS; TRANSMISSION MICROSCOPY;

ATOMS; DENSITY FUNCTIONAL THEORY; FEATURE EXTRACTION; FORTRAN (PROGRAMMING LANGUAGE); GRAPHENE;

HONEYCOMB STRUCTURES;

EID: 78650751231     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2010.11.029     Document Type: Article

References (17)

1. K. Nakada, M. Fujita, G. Dresselhaus, and M.S. Dresselhaus Edge state in graphene ribbons: Nanometer size effect and edge shape dependence Phys. Rev. B 54 1996 17954 17961
2. P. Koskinen, S. Malola, and H. Häkkinen Self-passivating edge reconstructions of graphene Phys. Rev. Lett. 101 2008 115502
3. K.A. Ritter, and J.W. Lyding The influence of edge structure on the electronic properties of graphene quantum dots and nanoribbons Nature Mater. 8 2009 235 242
4. X. Jia, M. Hofmann, V. Meunier, B.G. Sumpter, J. Campos-Delgado, J.M. Romo-Herrera, H. Son, Y.-P. Hsieh, A. Reina, J. Kong, M. Terrones, and M.S. Dresselhaus Controlled formation of sharp zigzag and armchair edges in graphitic nanoribbons Science 323 2009 1701 1705
5. Ç.Ö. Girit, J.C. Meyer, R. Erni, M.D. Rossell, C. Kisielowski, L. Yang, C.-H. Park, M.F. Crommie, M.L. Cohen, S.G. Louie, and A. Zettl Graphene at the edge: Stability and dynamics Science 323 2009 1705 1708
6. G.M. Rutter, N.P. Guisinger, J.N. Crain, P.N. First, and J.A. Stroscio Edge structure of epitaxial graphene islands Phys. Rev. B 81 2010 245408
7. Paraphrasing the famous sentence "God made the bulk; surfaces were invented by the devil." credited to Wolfgang Pauli - see, e.g. A.D. Yofe Contemp. Phys. 29 1988 411 414
8. A.K. Singh, and B.I. Yakobson Electronics and magnetism of patterned graphene nanoroads Nano Lett. 9 2009 1540 1543
9. T. Wassmann, A.P. Seitsonen, A.M. Saitta, M. Lazzeri, and F. Mauri Clar's theory, π-electron distribution, and geometry of graphene nanoribbons J. Am. Chem. Soc. 132 2010 3440 3451
10. A.K. Singh, E.S. Penev, and B.I. Yakobson Vacancy clusters in graphane as quantum dots ACS Nano 4 2010 3510 3514
11. J.A. De Loera, R. Hemmecke, J. Tauzer, and R. Yoshida Effective lattice point counting in rational convex polytopes J. Symb. Comput. 38 2004 1273 1302 http://www.math.ucdavis.edu/̃latte/
12. B. Vidakovic All roads lead to Rome-even in the honeycomb world Am. Stat. 48 1994 234 236
13. W. Humphrey, A. Dalke, and K. Schulten VMD - Visual molecular dynamics J. Mol. Graph. 14 1996 33 38 http://www.ks.uiuc.edu/Research/vmd/
14. Wolfram Research, Inc., Mathematica, version 7.0, Champaign, IL, 2008.
15. T. Espinosa-Ortega, I.A. Luk'yanchuk, Y.G. Rubo, Density of states in randomly shaped graphene quantum dots, Superlattices and Microstructures (2010), doi:10.1016/j.spmi.2010.06.018.
16. Y. Liu, A. Dobrinsky, and B.I. Yakobson Graphene edge from armchair to zigzag: the origins of nanotube chirality? Phys. Rev. Lett. 105 2010 235502
17. N. Barnes Publish your computer code: It is good enough Nature 467 2010 753