Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 8(22), p. 4823-4831, 2020
DOI: 10.1039/d0cp00167h
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Potential molecular semiconductor devices: cyclo-Cn (n = 10 and 14) with higher stabilities and aromaticities than acknowledged cyclo-C18
Journal article published in 2020 by
Mengyang Li,
Yanbo Han,
Yaoxiao Zhao,
Kun Yuan,
Shigeru Nagase 
,
Xiang Zhao ,
Zhibin Gao ,
Masahiro Ehara
,
Xiang Zhao ,
Zhibin Gao ,
Masahiro Ehara
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Abstract
Theoretical calculations reveal that the zero-dimensional allotropes of carbon atoms, cyclo-Cn (n = 10 and 14), have higher thermodynamic, kinetic, optical, and dynamic stabilities and aromaticity than the acknowledged cyclo-C18.