Rotation misorientated graphene moiré superlattices on Cu (1 1 1): Classical molecular dynamics simulations and scanning tunneling microscopy studies

Carbon

Volumn 77, Issue , 2014, Pages 1082-1089

  Sule P ^a   Szendro, M ^a   Hwang, C ^b   Tapaszto L ^a  

^a RESEARCH INSTITUTE FOR TECHNICAL PHYSICS AND MATERIALS SCIENCE   (Hungary)

^b Korea Research Institute of Standards and Science   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; GRAPHENE; MOLECULAR DYNAMICS; SCANNING TUNNELING MICROSCOPY; VAN DER WAALS FORCES;

CLASSICAL MOLECULAR DYNAMICS; CVD-GROWTH OF GRAPHENE; INTERFACIAL FORCE FIELDS; MISORIENTATION ANGLE; PARAMETER ADJUSTMENTS; PARAMETERIZED; QUANTITATIVE AGREEMENT; THEORETICAL STUDY;

SUPERLATTICES;

EID: 84907883547     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2014.06.024     Document Type: Article

References (57)

1. Z.Z. Sun, Z. Yan, J. Yao, E. Beitler, Y. Zhu, and J.M. Tour Growth of graphene from solid carbon sources Nature 468 2010 549
2. K.S. Kim, Y. Zhao, H. Jang, S.Y. Lee, and J.M. Kim et al. Large-scale pattern growth of graphene films for stretchable transparent electrodes Nature 457 2009 706
3. Y. Hao, M.S. Bharathi, L. Wang, Y. Liu, H. Chen, and S. Nie et al. The role of surface oxygen in the growth of large single-crystal graphene on copper Science 342 2013 720
4. X. Li, W. Cai, J. An, S. Kim, J. Nah, and D. Yang et al. Large-area synthesis of high-quality and uniform graphene films on copper foils Science 324 2009 1312
5. L. Gao, J.R. Guest, and N.P. Guisinger Epitaxial Graphene on Cu(1 1 1) Nano Lett 10 2010 3512
6. M. Batzill The surface science of graphene: metal interfaces, CVD synthesis, nanoribbons, chemical modifications, and defects Surf Sci Rep 67 2012 83
7. J. Wintterlin, and M.-L. Bocquet Graphene on metal surfaces Surf Sci 603 2009 1841 1852
8. D. Stradi, S. Barja, C. Daz, M. Garnica, B. Borca, and J.J. Hinarejos et al. Role of dispersion forces in the structure of graphene monolayers on Ru Surfaces Phys Rev Lett 106 2011 186102
9. M. Iannuzzi, and J. Hutter Comparative study of the nature of chemical bonding of corrugated graphene on Ru(0 0 0 1) and Rh(1 1 1) by electronic structure calculations Surf Sci 605 2011 1360
10. M. Iannuzzi, I. Kalichava, H. Ma, S.J. Leake, H. Zhou, and G. Li et al. Moiré beatings in graphene on Ru(0 0 0 1) Phys Rev B 88 2013 125433
11. L. Zhao, K.T. Rim, H. Zhou, R. He, T.F. Heinz, and A. Pinczuk et al. Solid State Commun 151 2011 509
12. W. Kim, K. Yoo, E.K. Seo, S.J. Kim, and C. Hwang Scanning tunneling microscopy study on a graphene layer grown on a single-crystal Cu(1 1 1) surface by using chemical vapor deposition J Korean Phys Soc 59 2011 71
13. T. Niu, M. Zhou, J. Zhang, Y. Feng, and W. Chen Growth intermediates for CVD graphene on Cu(1 1 1): carbon clusters and defective graphene J Am Chem Soc 135 2013 8409
14. R. He, L. Zhao, N. Petrone, K.S. Kim, M. Roth, and J. Hone et al. Large physisorption strain in chemical vapor deposition of graphene on copper substrates Nano Lett 12 2012 2408
15. S. Nie, J.M. Wofford, N.C. Bartelt, O.D. Dubon, and K.F. McCarthy Origin of the mosaicity in graphene grown on Cu(1 1 1) Phys Rev B B84 2011 155425
16. P. Merino, M. Svec, A.L. Pinardi, G. Otero, and J.A. Martn-Gago Strain-driven moir superstructures of epitaxial graphene on transition metal surfaces Acs Nano 5 2011 5627
17. K.L. Man, and M.S. Altman Small-angle lattice rotations in graphene on Ru(0 0 0 1) Phys Rev B 84 2011 235415 28
18. E. Starodub, A. Bostwick, L. Moreschini, S. Nie, F. El Gabaly, and K.F. McCarty et al. In-plane orientation effects on the electronic structure, stability, and Raman scattering of monolayer graphene on Ir(1 1 1) Phys Rev B 83 2011 125428
19. A.T. NDiaye, J. Coraux, T.N. Plasa, C. Busse, and T. Michely In-plane orientation effects on the electronic structure, stability, and Raman scattering of monolayer graphene on Ir(1 1 1) New J Phys 10 2008 043033
20. P. Sutter, J.T. Sadowski, and E. Sutter Graphene on Pt(1 1 1): growth and substrate interaction Phys Rev B 80 2009 245411
21. L. Meng, R. Wu, L. Zhang, L. Li, S. Du, and Y. Wang et al. Multi-oriented moiré superstructures of graphene on Ir(1 1 1): experimental observations and theoretical models J Phys Condens Matter 24 2012 314214
22. H. Hattab, A.T. NDiaye, D. Wall, G. Jnawali, J. Coraux, and C. Busse et al. Growth temperature dependent graphene alignment on Ir111... Appl Phys Lett 98 2011 141903
23. Y. Murata, V. Petrova, B.B. Kappes, A. Ebnonnasir, I. Petrov, and Y. Xie et al. Moiré superstructures of graphene on faceted nickel islands ACS Nano 4 2010 6509
24. D. Martoccia, P.R. Willmott, T. Brugger, M. Bjorck, S. Gunther, and C.M. Schleputz et al. Graphene on Ru(0 0 0 1): a 25 × 25 Supercell Phys Rev Lett 101 2008 126102
25. B. Borca, S. Barja, M. Garnica, M. Minniti, A. Politano, and J. M Rodriguez-Garca et al. Electronic and geometric corrugation of periodically rippled, self-nanostructured graphene epitaxially grown on Ru(0 0 0 1) New J Phys 12 2010 093018
26. K. Hermann Periodic overlayers and moir patterns: theoretical studies of geometric properties J Phys Condens Matter 24 2012 314210
27. S.K. Hämäläinen, M.P. Boneschanscher, P.H. Jacobse, I. Swart, K. Pussi, and W. Moritz et al. The structure and local variations of the Graphene moiré on Ir(1 1 1) Phys Rev B 88 2013 201406(R)
28. P. Süle, and M. Szendro The classical molecular dynamics simulation of graphene on Ru(0 0 0 1) using a fitted Tersoff interface potential Surf Interf Anal 46 2014 42
29. D. Jiang, M.-H. Du, and S. Dai First principles study of the graphene/Ru(0 0 0 1) interface J Chem Phys 130 2009 074705
30. B. Wang, S. Günther, J. Wintterlin, and M.-L. Bocquet Periodicity, work function and reactivity of graphene on Ru(0 0 0 1) from first principles New J Phys 12 2010 043041
31. G.C. Abell Empirical chemical pseudopotential theory of molecular and metallic bonding Phys Rev B 31 1985 6184
32. J. Tersoff Empirical interatomic potential for carbon, with applications to amorphous carbon Phys Rev Lett 61 1988 2879
33. J. Tersoff Modeling solid-state chemistry: interatomic potentials for multicomponent systems Phys Rev B 39 1989 5566
34. J. Tersoff, and D.W. Brenner Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films Phys Rev B 42 1990 9458
35. S. Marchini, S. Günther, and J. Wintterlin Scanning tunneling microscopy of graphene on Ru (0 0 0 1) Phys Rev B 76 2007 075429
36. A. T N'Diaye, J. Coraux, T.N. Plasa, C. Busse, and T. Michely Structure of epitaxial graphene on Ir(1 1 1) New J Phys 10 2008 043033
37. E.N. Voloshina, Yu. S. Dedkov, S. Torbrugge, A. Thissen, and M. Fonin Graphene on Rh(1 1 1): scanning tunneling and atomic force microscopies studies Appl Phys Lett 100 2012 241606
38. F. Varchon, P. Mallet, L. Magaud, and J.-Y. Veuillen Rotational disorder in few-layer graphene films on: a scanning tunneling microscopy study Phys Rev B 77 2008 165415
39. W. Gannett, A. Zettl, M.F. Crommie, R. Decker, Y. Wang, and V.W. Brar et al. Local electronic properties of graphene on a BN substrate via scanning tunneling microscopy Nano Lett 11 2011 2291
40. E.N. Voloshina, E. Fertitta, A. Garhofer, F. Mittendorfer, M. Fonin, and A. Thissen et al. Electronic structure and imaging contrast of graphene moiré on metals Sci Rep 3 2013 1072
41. S.J. Plimpton Fast parallel algorithms for short-range molecular dynamics J Comput Phys 117 1995 1 19 see also the URL http://lammps.sandia.gov
42. A. Stukowski Visualization and analysis of atomistic simulation data with OVITOthe Open Visualization Tool Modell Simul Mater Sci Eng 18 2010 015012
43. P. Süle Ion-erosion induced surface nanoporosity and nanotopography on Si J Chem Phys 134 2011 244706
44. S.J. Stuart, A.B. Tutein, and J.A. Harrison A reactive potential for hydrocarbons with intermolecular interactions J Chem Phys 112 2000 6472
45. H.W. Sheng, M.J. Kramer, A. Cadien, T. Fujita, M.W. Chen, and metals Highly-optimized EAM potentials for 14 fcc PRB 83 2011 134118
46. J. Klimes, D.R. Bowler, and A. Michaelides Chemical accuracy for the van der Waals density functional J Phys Condens Matter 22 2009 022201
47. E. Artacho, E. Anglada, O. Dieguez, J.D. Gale, A. Garca, and J. Junquera et al. The SIESTA method; developments and applicability J Phys Condens Matter 20 2008 064208
48. M. Szendro, and P. Süle code potfit: parameter fitting of the Tersoff potential using ab initio DFT data base 2013
49. Süle P, Szendro M, Time-lapsed graphene moiré superlattice on Cu(1 1 1), eprint: arXiv:1402.4692.
50. User's Guide, SIESTA 3.1, trunk-367, www.icmab.es/siesta.
51. M. Birowska, K. Milowska, and J.A. Majewski Van der waals density functionals for graphene layers and graphite Acta Phys Pol A 120 2011 845
52. M.A. Akhukov, A. Fasolino, 1 Y.N. Gornostyrev, and M.I. Katsnelson Dangling bonds and magnetism of grain boundaries in graphene Phys Rev B 85 2012 115407
53. E. Loginova, S. Nie, K. Thürmer, N.C. Bartelt, and K.F. McCarty Defects of graphene on Ir(1 1 1): rotational domains and ridges Phys Rev B 80 2009 085430
54. L. Tapasztó, T. Dumitric, S. Jin Kim, P. Nemes-Incze, C. Hwang, and L.P. Biró Breakdown of continuum mechanics for nanometre-wavelength rippling of graphene Nat Phys 8 2012 739
55. T. Yoon, W.C. Shin, T.Y. Kim, J.H. Mun, T.-S. Kim, and B.J. Cho Direct measurement of adhesion energy of monolayer graphene as- grown on copper and its application to renewable transfer process Nano Lett 12 2012 1448
56. T. Olsen, and K.S. Thygesen Random phase approximation applied to solids, molecules, and graphene-metal interfaces: from van der Waals to covalent bonding Phys Rev B 87 2013 075111
57. S.P. Koenig, N.G. Boddeti, M.L. Dunn, and J.S. Bunch Ultra-strong adhesion of graphene membranes Nat Nanotechnol 6 2011 543546