Fullerene extends our knowledge about the allotropes of carbon. Due to its unique structure and properties, it has attracted much experimental and theoretical attention and great effort has been made to synthesize a fullerene smaller than C60 for application in nanoscience. In our previous study, a planar structure of C16N12 was proposed and studied. In our current study, the interactions between multilayer of planar C16N12 were investigated. All geometry optimizations were performed using B3LYP/6-31G(d) and B3LYP/6-311G(d,p). All calculations were conducted using a Gaussian 09 suite of computational chemistry software and the visualizations used GaussView 5.

Theoretical studies of interactions between planar C16N12

255th National Meeting (2018)

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