Study of the Ionization Potential, Electron Affinity and HOMO-LUMO Gaps in the Smal Fullerene Nanostructures

Study of the Ionization Potential, Electron Affinity and HOMO-LUMO Gaps in the Smal Fullerene Nanostructures

In this work, the theoretical investigations on the buckyball systems including C<sub>20</sub>, C<sub>24</sub>, C<sub>26</sub>, C<sub>28</sub>, C<sub>30 </sub>and C<sub>19</sub>Si were done to study the structures and properties...

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Bibliographic Details
Main Authors: Musa Heidari Nezhad Janjanpour, Mahshad Vakili, Shahla Daneshmehr, Khodadad Jalalierad, Fatemeh Alipour
Format: Article
Language:English
Published: Iranian Chemical Science and Technologies Association 2018-10-01
Series:Chemical Review and Letters
Subjects:
fullerene
c20-c30
carbon nanoclusters
homo–lumo energy gap
dft
Online Access:http://www.chemrevlett.com/article_85215_1542b2ec26dd690665c98d8269f9430f.pdf

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http://www.chemrevlett.com/article_85215_1542b2ec26dd690665c98d8269f9430f.pdf

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