Understanding the structure and electronic properties of N-doped graphene nanoribbons upon hydrogen saturation
Structures and electronic properties of zigzag graphene nanoribbon (ZGNR) with pyridine (3NV-ZGNR) functionalized by Scandium (Sc) at the edge were studied through quantum chemical calculations in the formalism of density-functional theory (DFT). Pyridine-like nitrogen defects is very crucial for en...
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Animo Repository
2014
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| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/2211 https://animorepository.dlsu.edu.ph/context/faculty_research/article/3210/type/native/viewcontent |
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| Institution: | De La Salle University |