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Atomistic simulations of low energy ion irradiation of 2D materials: From ab-initio molecular dynamics to simple binary collision model
Ion irradiation is a powerful tool to tune the properties of two-dimensional (2D) materials by
creating defects and introducing impurities. At the same time, efficient defect production and …
creating defects and introducing impurities. At the same time, efficient defect production and …
Path Integral Approach to Analyze Impurity Substrate Interaction in Graphene
H Biswas - 2022 - search.proquest.com
Theoretical studies of defects in graphene typically take one of three approaches: Density
Functional Theory (DFT) simulations for atomically-precise short-range features, exact …
Functional Theory (DFT) simulations for atomically-precise short-range features, exact …