Predicting the new carbon nanocages, fullerynes: a DFT study

Abstract In this study, based on density functional theory, we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We call these new nanostructures fullerynes, according to IUPAC. We present four samples with the chemical formula of C4nHn, and the structures d...

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Bibliographic Details
Main Authors: Mohammad Qasemnazhand, Farhad Khoeini, Farah Marsusi
Format: article
Language:EN
Published: Nature Portfolio 2021
Subjects:
R
Q
Online Access:https://doaj.org/article/b3b8c307330f4eea9faab4e1dcfcc58b
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