Modulating Optical Properties of Graphene with the help of Two‐Dimensional Metal‐Organic Networks
Hamed Abbasian
Abstract:We utilize density functional theory to explore dicarbonitrile‐polyphenyl networks overlaid on graphene as a method for manipulating the density of Li atoms in a specific assembly pattern. Ab initio molecular dynamics calculations affirm the thermal stability of the introduced systems. We scrutinized the electronic structure and optical properties of the resultant systems, illustrating a systematic modulation of optical characteristics. Our results suggest that the optical excitation frequencies of (Li‐dicarbo… Show more
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