Implications of the edge states for the band structure of armchair graphene nanoribbons

Michael Filatov; Anna Pomogaeva; Seung Kyu Min

doi:10.1007/s42823-024-00824-z

Implications of the edge states for the band structure of armchair graphene nanoribbons

Carbon Letters
Abbr : Carbon Lett.
2025, 35(2), pp.767~779
DOI : 10.1007/s42823-024-00824-z
Publisher : Korean Carbon Society
Research Area : Natural Science > Natural Science General > Other Natural Sciences General
Received : May 29, 2024
Accepted : October 5, 2024
Published : June 5, 2025

Michael Filatov ¹, Anna Pomogaeva ², Seung Kyu Min ¹

¹Institute for Basic Science (IBS)
²Saint Petersburg State University

Accredited

ABSTRACT

The one-electron states of (7,38) armchair graphene nanoribbon (AGNR) have been investigated in the ground and excited singlet electronic states by a multi-configuration ensemble density functional theory method. The quasiparticle energies for both electron removal and electron addition states were used to construct the electronic bands of the bulk and zigzag edge states of the ribbon. The zigzag edge states of the ribbon are dispersionless and localized at the ribbon termini. Energetically, the electron removal and electron addition edge states are separated by 2.4 eV, which is in good agreement with the experimentally measured splitting of 2.45±0.10 eV in AGNR of similar length. Excitation of the edge electrons results in a highly electrically polarized singlet excited state, where some of the delocalized bulk orbitals become confined within the structural units (anthracene), thus leading to the formation of Wannier–Stark ladder states.

KEYWORDS

Graphene nanoribbons, Density functional theory, Electronic structure, Charge transfer, Wannier–Stark ladder

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This paper was written with support from the National Research Foundation of Korea.

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Carbon Letters 2025 KCI Impact Factor : 0.73 KCI-WoS Impact Factor : 6.26

Implications of the edge states for the band structure of armchair graphene nanoribbons

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This is the result of checking the information with the same ISSN, publication year, volume, and start page between the WoS and the KCI journals. (as of 2026-07-09)

Total Citation Counts(KCI+WOS) (2) This is the number of times that the duplicate count has been removed by comparing the citation list of WoS and KCI.

* References for papers published after 2025 are currently being built.

Carbon Letters 2025 KCI Impact Factor : 0.73 KCI-WoS Impact Factor : 6.26

Implications of the edge states for the band structure of armchair graphene nanoribbons

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Total Citation Counts(KCI+WOS) (2) This is the number of times that the duplicate count has been removed by comparing the citation list of WoS and KCI.

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