Ab initio study of absorption resonance correlations between nanotubes and nanoribbons of graphene and hexagonal boron nitride

• Main Authors: Payod, Renebeth B., Saroka, Vasil A.
• Format: text
• Published: Animo Repository 2019
• Subjects: Nanoribbons; Nanotubes; Optical absorption; Density functional theory; Pearson correlation coefficient
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/841
• Institution: De La Salle University

Density functional theory calculations are performed for the electronic band structures and optical absorption spectra of the zigzag nanoribbons and armchair nanotubes of graphene and hexagonal boron nitride as well as hybrid tubular structures obtained by embedding two dimer lines of B and N atoms...