Electronic and optical properties of C24, C12X6Y6, and X12Y12 (X = B, Al and Y = N, P)

  • Debolina Paul
  • Jyotirmoy Deb
  • Barnali Bhattacharya
  • Utpal SarkarEmail author
Original Paper


Utilizing first-principles calculations, we studied the electronic and optical properties of C24, C12X6Y6, and X12Y12 fullerenes (X = B, Al; Y = N, P). These fullerenes are energetically stable, as demonstrated by their negative cohesive energies. The energy gap of C24 may be tuned by doping, and the B12N12 fullerene was found to have the largest energy gap. All of the fullerenes had finite optical gaps, suggesting that they are optical semiconductors, and they strongly absorb UV radiation, so they could be used in UV light protection devices. They could also be used in solar cells and LEDs due to their low reflectivities.

Graphical abstract

Possible applications of doped C24 fullerene


Fullerene C24 Heterofullerenes Electronic properties Chemical reactivity Optical properties 



US thanks ICTP, Trieste, Italy for hosting him as a regular associate. JD thanks DST, New Delhi for providing him with a DST-INSPIRE fellowship. BB thanks CSIR for providing her with a CSIR-SRF. This research is supported by Assam University, Silchar, India.

Supplementary material

894_2018_3735_MOESM1_ESM.docx (114 kb)
ESM 1 (DOCX 114 kb)


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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Department of PhysicsAssam UniversitySilcharIndia

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