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Theoretical design and study of Porous Carbon Nitride Fullerenes: A Novel Family of Cage Molecules

Year: 2025

Type: article

Abstract: •A novel family of cage molecules, the porous carbon nitride fullerenes (PCNFs) is proposed and studied thoretically.[1] •They are the 0-D counterparts of 2D graphitic carbon nitrides [2-6], in analogy with icosahedral fullerene, being the 0D counterpart of graphene. •We study two members of the PCNF family, the icosahedral C60N60 and C120N60. •We demonstrate their electronic, vibrational, and thermal stability. •Their revealed properties are promising for several applications.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.17675310

Authors: Lathiotakis, Nektarios, Fthenakis, Zacharias

Institutions: National Hellenic Research Foundation, Istituto Nanoscienze

Language: English

Topic: Boron and Carbon Nanomaterials Research

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7106322105

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