Abstract
During epitaxial graphene growth vacancy defects may be formed in the graphene structure. These defects are undesirable since they affect the electronic properties of the graphene and reduce the carrier mobility [1]. However it was shown that it is possible for vacancy defects to heal once they are produced in the case of graphene grown on the Ir(111) surface, if the system is dosed with ethylene molecules as in CVD growth [2]. In this chapter the healing of graphene single vacancy defects via the deposition of ethylene molecules will be investigated with the use of molecular dynamics simulations and nudged elastic band calculations.
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References
Q. Yu, L.A. Jauregui, W. Wu, R. Colby, J. Tian, Z. Su, H. Cao, Z. Liu, D. Pandey, D. Wei et al., Control and characterization of individual grains and grain boundaries in graphene grown by chemical vapour deposition. Nat. Mater. 10(6), 443–449 (2011)
N. Blanc, F. Jean, A.V. Krasheninnikov, G. Renaud, J. Coraux, Strains induced by point defects in graphene on a metal. Phys. Rev. Lett. 111, 085501 (2013)
F. Banhart, J. Kotakoski, A.V. Krasheninnikov, Structural defects in graphene. ACS Nano 5(1), 26–41 (2011)
S. Standop, O. Lehtinen, C. Herbig, G. Lewes-Malandrakis, F. Craes, J. Kotakoski, T. Michely, A.V. Krasheninnikov, Carsten Busse, Ion impacts on graphene/ir(111): Interface channeling, vacancy funnels, and a nanomesh. Nano Lett. 13(5), 1948–1955 (2013)
H.W. Sheng, M.J. Kramer, A. Cadien, T. Fujita, M.W. Chen, Highly optimized embedded-atom-method potentials for fourteen fcc metals. Phys. Rev. B 83, 134118 (2011)
S. Plimpton, Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1–19 (1995)
J.D. Gale, GULP - a computer program for the symmetry adapted simulation of solids. JCS Faraday Trans. 93, 629 (1997)
J.D. Gale, A.L. Rohl, The general utility lattice program. Molecul. Simul. 29, 291–341 (2003)
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Tetlow, H.A. (2017). Removing Defects: Healing Single Vacancy Defects. In: Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-65972-5_7
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DOI: https://doi.org/10.1007/978-3-319-65972-5_7
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