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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Bibliographic Details
Main Author: Mananghaya, Michael R.
Format: text
Published: 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

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