Edge structural stability and kinetics of graphene chemical vapor deposition growth

ACS Nano

Volumn 6, Issue 4, 2012, Pages 3243-3250

  Shu, Haibo ^a,b   Chen, Xiaoshuang ^a   Tao, Xiaoming ^b   Ding, Feng ^a,b  

^a SHANGHAI INSTITUTE OF TECHNICAL PHYSICS   (China)

^b HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

Author keywords

chemical vapor deposition; density functional theory; edge reconstruction; graphene

Indexed keywords

CARBON ATOMS; CATALYST SURFACES; CATALYTIC SURFACES; CU ATOMS; CU SURFACES; CU(1 1 1); CVD GROWTHS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EDGE RECONSTRUCTION; EXPERIMENTAL OBSERVATION; IN-VACUUM; STRUCTURAL STABILITIES; THEORETICAL RESULT;

CHEMICAL VAPOR DEPOSITION; DENSITY FUNCTIONAL THEORY; GROWTH KINETICS; PASSIVATION; STABILITY; VAPORS;

GRAPHENE;

EID: 84860383309     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn300726r     Document Type: Article

References (42)

1. Geim, A. K.; Novoselov, K. S. The Rise of Graphene Nat. Mater. 2007, 6, 183-191
2. Dimiev, A.; Kosynkin, D. V.; Sinitskii, A.; Slesarev, A.; Sun, Z.; Tour, J. M. Layer-by-Layer Removal of Graphene for Device Patterning Science 2011, 331, 1168-1172
3. Wu, M. H.; Pei, Y.; Zeng, X. C. Planar Tetracoordinate Carbon Strips in Edge Decorated Graphene Nanoribbon J. Am. Chem. Soc. 2010, 132, 5554-5555
4. Geim, A. K. Graphene: Status and Prospects Science 2009, 324, 1530-1534
5. Li, Y. F.; Zhou, Z.; Shen, P. W; Chen, Z. F. Structural and Electronic Properties of Graphane Nanoribbons J. Phys. Chem. C 2009, 113, 15043-15045
6. Preobrajenski, A. B.; Ng, M. L.; Vinogradov, A. S.; Martensson, N. Controlling Graphene Corrugation on Lattice-Mismatched Substrates Phys. Rev. B 2008, 78, 073401
7. Marchini, S.; Günther, S.; Wintterlin, J. Scanning Tunneling Microscopy of Graphene on Ru(0001) Phys. Rev. B 2007, 76, 074429
8. NDiaye, A. T.; Bleikamp, S.; Feibelman, P. J.; Michely, T. Two-Dimensional Ir Cluster Lattice on a Graphene Moire on Ir(111) Phys. Rev. Lett. 2006, 97, 215501
9. Zhang, Y.; Gomez, L.; Ishikawa, F. N.; Madaria, A.; Ryu, K.; Wang, C.; Badmaev, A.; Zhou, C. Comparison of Graphene Growth on Single-Crystalline and Polycrystalline Ni by Chemical Vapor Deposition J. Phys. Chem. Lett. 2010, 1, 3101-3107
10. Lee, Y.; Bae, S.; Jang, H.; Jang, S.; Zhu, S.-E.; Zhu, S. H.; Sim, S. H.; Song, Y. I.; Hong, B. H.; Ahn, J.-H. Wafer-Scale Synthesis and Transfer of Graphene Films Nano Lett. 2010, 10, 490-493
11. Sutter, P.; Sadowski, J. T.; Sutter, E. Graphene on Pt(111): Growth and Substrate Interaction Phys. Rev. B 2009, 80, 245411
12. Kwon, S.-Y.; Ciobanu, C. V.; Petrova, V.; Shenoy, V. B.; Bareño, J.; Gambin, V.; Petrov, I.; Kodambaka, S. Growth of Semiconducting Graphene on Palladium Nano Lett. 2009, 9, 3985-3990
13. Reddy, K. M.; Gledhill, A. D.; Chen, C. H.; Drexler, J. M.; Padture, N. P. High Quality, Transferrable Graphene Grown on Single Crystal Cu(111) Thin Films on Basal-Plane Sapphire Appl. Phys. Lett. 2011, 98, 113117
14. Gao, L.; Guset, J. R.; Guisinger, N. P. Epitaxial Graphene on Cu(111) Nano Lett. 2010, 10, 3512-3516
15. Li, X. S.; Cai, W. W.; Colombo, L.; Ruoff, R. S. Evolution of Graphene Growth on Ni and Cu by Carbon Isotope Labeling Nano Lett. 2009, 9, 4268-4272
16. Zhang, W. H.; Wu, P.; Li, Z. Y.; Yang, J. L. First-Principles Thermodyamics of Graphene Growth on Cu Surfaces J. Phys. Chem. C 2011, 115, 17782-17787
17. Li, Z. C.; Wu, P.; Wang, C. X.; Fan, X. D.; Zhang, W. H.; Zhai, X. F.; Zeng, C. G.; Li, Z. Y.; Yang, J. L.; Hou, J. G. Low-Temperature Growth of Graphene by Chemical Vapor Deposition Using Solid and Liquid Carbon Source ACS Nano 2011, 5, 3385-3390
18. Van Wesep, R. G.; Chen, H.; Zhu, W. G.; Zhang, Z. Y. Stable Carbon Nanoarches in the Initial Stages of Epitaxial Growth of Graphene on Cu(111) J. Chem. Phys. 2011, 134, 171105
19. Yazyev, O. V.; Pasquarello, A. Effect of Metal Elements in Catalytic Growth of Carbon Nanotubes Phys. Rev. Lett. 2008, 100, 156102
20. Tian, J. F.; Cao, H. L.; Wu, W.; Yu, Q.; Chen, Y. P. Direct Imaging of Graphene Edges: Atomic Structure and Electronic Scattering Nano Lett. 2011, 11, 3663-3368
21. Yu, Q.; Jauregui, L. A.; Wu, W.; Colby, R.; Tian, J.; Su, Z.; Cao, H.; Liu, Z.; Pandy, D.; Wei, D. et al. Control and Characterization of Individual Grains and Grain Boundaries in Graphene Grown by Chemical Vapor Deposition Nat. Mater. 2011, 10, 443-449
22. Jauregui, L. A.; Cao, H.; Wu, W.; Yu, Q.; Chen, Y. P. Electronic Properties of Grains and Grain Boundaries in Graphene Grown by Chemical Vapor Deposition Solid State Commun. 2011, 151, 1100-1104
23. Sun, Q.; Yerino, C. D.; Leung, B.; Han, J.; Coltrin, M. E. Understanding and Controlling Heteroepitaxy with the Kinetic Wulff Polt: A Case Study with GaN J. Appl. Phys. 2011, 110, 053517
24. Gao, J. F.; Yip, J.; Zhao, J. J.; Yakobson, B. I.; Ding, F. Graphene Nucleation on Transition Metal Surface: Structure Transformation and Role of the Metal Step Edge J. Am. Chem. Soc. 2011, 133, 5009-5015
25. Koskinen, P.; Malola, S.; Häkkinen, H. Self-Passivating Edge Reconstruction of Graphene Phys. Rev. Lett. 2008, 101, 115502
26. Huang, J. Y.; Ding, F.; Yakobson, B. I.; Lu, P.; Qi, L.; Li, J. In Situ Observation of Graphene Sublimation and Multi-layer Edge Reconstructions Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 10103-10108
27. Yuan, Q. H.; Gao, J. F.; Shu, H. B.; Zhao, J. J.; Chen, X. S.; Ding, F. Magic Carbon Clusters in the Chemical Vapor Deposition Growth of Graphene J. Am. Chem. Soc. 2012, 134, 2970-2975
28. Weatherup, R. S.; Bayer, B. C.; Blume, R.; Ducati, C.; Baehtz, C.; Schlögl, R.; Hofmann, S. In Situ Characterization of Alloy Catalysts for Low-Temperature Graphene Growth Nano Lett. 2011, 11, 4154-4160
29. Coraux, J.; NDiaye, A. T.; Engler, M.; Busse, C.; Wall, D.; Buckanie, N.; Heringdorf, F.-J. M.; Gastel, R. v.; Poelsema, B.; Michely, T. Growth of Graphene on Ir(111) New J. Phys. 2009, 11, 023006
30. Wood, J. D.; Schmucker, S. W.; Lyons, A. S.; Pop, E.; Lyding, J. W. Effect of Polycrystalline Cu Substrate on Graphene Growth by Chemical Vapor Deposition Nano Lett. 2011, 11, 4547-4554
31. Yuan, Q. H.; Hu, H.; Gao, J. F.; Ding, F.; Liu, Z. F.; Yakobson, B. I. Upright Standing Graphene Formation on Substrates J. Am. Chem. Soc. 2011, 13, 16072-16079
32. Ding, F.; Larsson, P.; Larsson, J. A.; Ahuja, R.; Duan, H. M.; Rosén, A.; Bolton, K. The Importance of Strong Carbon-Metal Adhesion for Catalytic Nucleation of Single-Walled Carbon Nanotubes Nano Lett. 2008, 8, 463-468
33. Chen, H.; Zhu, W. G.; Zhang, Z. Y. Contrasting Behavior of Carbon Nucleation in the Initial Stages of Graphene Epitaxial Growth on Stepped Metal Surfaces Phys. Rev. Lett. 2010, 104, 186101
34. Wu, P.; Zhang, W. H.; Li, Z. Y.; Yang, J. L.; Hou, J. G. Coalescence of Carbon Atoms on Cu(111) Surface: Emergence of a Stable Bridging-Metal Structure Motif J. Chem. Phys. 2010, 133, 071101
35. Vlassiouk, I.; Regmi, M.; Fulvio, P.; Dai, S.; Datskos, P.; Eres, G.; Smirnov, S. Role of Hydrogen in Chemical Vapor Deposition Growth of Large Single-Crystal Graphene ACS Nano 2011, 5, 6069-6076
36. Liu, Y. Y.; Dobrinsky, A.; Yakobson, B. I. Graphene Edge from Armchair to Zigzag: The Origins of Nanotube Chirality? Phys. Rev. Lett. 2010, 105, 235502
37. Ding, F.; Harutyunyan, A. R.; Yakobson, B. I. Dislocation Theory of Chirality-Controlled Nanotube Growth Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 2506-2509
38. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
39. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
40. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
41. Kresse, G; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
42. Henkelman, G.; Uberuaga, B. P.; Jónsson, H. A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths J. Chem. Phys. 2000, 113, 9901