Tuning aromaticity patterns and electronic properties of armchair graphene nanoribbons with chemical edge functionalisation

2013 ◽  
Vol 15 (30) ◽  
pp. 12637 ◽  
Author(s):  
Francisco J. Martin-Martinez ◽  
Stijn Fias ◽  
Gregory Van Lier ◽  
Frank De Proft ◽  
Paul Geerlings
2021 ◽  
Vol 94 (5) ◽  
Author(s):  
Rajesh Thakur ◽  
P. K. Ahluwalia ◽  
Ashok Kumar ◽  
Munish Sharma ◽  
Raman Sharma

2015 ◽  
Vol 17 (25) ◽  
pp. 16545-16552 ◽  
Author(s):  
Yu-Tsung Lin ◽  
Hsien-Ching Chung ◽  
Po-Hua Yang ◽  
Shih-Yang Lin ◽  
Ming-Fa Lin

The geometric and electronic properties of passivated armchair graphene nanoribbons, enriched by strong chemical bonding between edge-carbons and various adatoms, are investigated by first-principle calculations.


2018 ◽  
Vol 32 (24) ◽  
pp. 1850263 ◽  
Author(s):  
Li-Feng Jiang ◽  
Lei Xu ◽  
Jun Zhang

The armchair graphene nanoribbons (AGNRs) can be either semiconducting or metallic, depending on their widths. We investigate the electronic properties of AGNRs under uniaxial strain and electric field. We find that the bulk gap decreases gradually with the increase of the electric field for semiconducting case, but it cannot vanish completely in an appropriate range, which is similar to that of a single uniaxial strain. However, a suitable combination of electric field and uniaxial strain can lead to that the energy gap completely vanishes and reopens. For the metallic case, the bulk gap can display the same opening and closing behavior under an electric field and uniaxial strain. Finally, an interesting quantum phenomenon is obtained by applying a perpendicular magnetic field.


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