First-Principle Study on the Interaction between Fe and Trivacancy in Graphene

<div>The optimized configurations of Fe adsorbed on the 6 × 6 graphene supercell with a trivacancy in both top view and side view. (a) Fe on the graphene with r-trivacancy (Fe@RTV) and (b) Fe on the graphene with b-trivacancy (Fe@BTV).</div>

Journal of Nanomaterials

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Figure 2

Figure 2: First-Principle Study on the Interaction between Fe and Trivacancy in Graphene 