Being isolated for the first time in 2004, graphene has started an entire new field of two-dimensional (2D) materials driven by novel properties and phenomena observed in these materials as well as their potential technological applications. Due to their low-dimensional nature, the effects of lattice disorder and boundaries in 2D materials are enhanced in comparison to bulk materials. This chapter covers the most important contributions of computational modeling to predict the structure and properties of lattice imperfections in graphene, namely, the point defects, topological defects, and edges, and draws connections to the subsequent experimental works confirming these predictions.
CITATION STYLE
Yazyev, O. V. (2020). Modeling Disordered and Nanostructured Graphene. In Handbook of Materials Modeling: Applications: Current and Emerging Materials, Second Edition (pp. 53–72). Springer International Publishing. https://doi.org/10.1007/978-3-319-44680-6_19
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