Theoretical investigation of the electronic properties of zigzag graphene nanoribbons with pyridine and porphyrin-like defects
Defects can alter the properties of zigzag graphene nanoribbons (ZGNRs). A ZGNR segment containing 120 C atoms with pyridine (3NV-ZGNR) and porphyrin (4ND-ZGNR) defects was investigated with the aid of spin-unrestricted density functional theory (DFT). It is found out that the incorporation of pyrid...
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Animo Repository
2013
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| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/12276 |
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| Institution: | De La Salle University |