This research demonstrates prediction improvements of fullerene isomers in carbon-based nanomaterials, suggesting advancements in optoelectronics and medicine.
Fullerenes, carbon-based nanomaterials with sp 2 -hybridized carbon atoms arranged in polyhedral cages, exhibit diverse isomeric structures with promising applications in optoelectronics, solar cells, and medicine. However, the vast number of possible...
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Liu et al. (2025) studied this question.
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