Mechanical graphene nanoribbon

S. K. Georgantzinos, G. I. Giannopoulos, D. E. Katsareas, P. A. Kakavas, N. K. Anifantis, Size-dependent non-linear mechanical properties of graphene nanoribbons., Computational Materials Science, vol. 50, pp. 2057-2062, 2011. 

Under electron irradiation (or by other mechanisms) it is possible to generate carbon vacancies leading to the formation of extended defect domains (with the presence of pentagonal and heptagonal, and even four-membered carbon rings) showing semiconductor character. This is the mechanism of formation of semiconductor properties in quantum-dot carbon nanoparticles or graphene nanoribbon. The mechanism... 

Kim H, Lee K, Woo SI, Jung Y. On the mechanism of enhanced oxygen reduction reaction in nitrogen-doped graphene nanoribbons. Phys Chem Chem Phys 2011 13 17505-10. 

Abstract The purpose of this chapter is to describe and review examples of how theoretical investigations can be applied to elucidate the behavior of carbon nanostructures and to imder-stand the physical mechanisms taking place at the molecular level. We will place a special emphasis in theoretical works utilizing density functional theory. We assume that the reader is familiar with the basics of density functional theory as well as the electronic properties of single-walled carbon nanotubes and graphene nanoribbons (GNRs). We do not intend to present an extensive review instead, we focus on several examples to illustrate the powerful predictive capabilities of current computational approaches. 

Faccio, R., Denis, P. A., Pardo, H., Goyenola, C., 8c Mombru, A. W. (2009). Mechanical properties of graphene nanoribbons. Journal of Physics Condensed Matter, 21, 285304. 

Stone-Wales wave isomeric mechanism that produces the t -extended dislocation dipole originally applied here to graphene-to-silicene nanoribbons future computational studies, especially at DFT level will be necessary to describe and cross-check the actual bondonic findings regarding the energetic barriers and thermodynamic stability of presently considered SW topological defects in IVA elemental honeycomb and related hetero structures. 

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