Theoretical study of nitrogen, boron, and co-doped (B, N) armchair graphene nanoribbons

2020 ◽  
Vol 26 (4) ◽  
Author(s):  
Masoud Javan ◽  
Roza Jorjani ◽  
Ali Reza Soltani
Keyword(s):  
Theoretical Study ◽  
Graphene Nanoribbons ◽  
Armchair Graphene Nanoribbons ◽  
Co Doped ◽  
Armchair Graphene

Electronic and optical properties of surface hydrogenated armchair graphene nanoribbons: a theoretical study

RSC Advances ◽  
2016 ◽  
Vol 6 (14) ◽  
pp. 11786-11794 ◽  
Author(s):  
Xi Zhu ◽  
Min Wang
Keyword(s):  
Optical Properties ◽  
Spatial Distribution ◽  
Theoretical Study ◽  
Graphene Nanoribbons ◽  
Electronic And Optical Properties ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene

The hydrogen coverage on armchair graphene nanoribbons affects the spatial distribution of the wavefunction locally, revealing a confinement phenomenon, and influences the electronic and optical properties as well.

scholarly journals First Principles Study of Electronic and Magnetic Properties of Co-Doped Armchair Graphene Nanoribbons

2015 ◽  
Vol 2015 ◽  
pp. 1-9 ◽  
Author(s):  
Biao Li ◽  
Dahai Xu ◽  
Jun Zhao ◽  
Hui Zeng
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Graphene Nanoribbons ◽  
Spin Configuration ◽  
Co Doping ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene Nanoribbon ◽  
Co Doped ◽  
Armchair Graphene

Using the first principles calculations, we have studied the atomic and electronic structures of single Co atom incorporated with divacancy in armchair graphene nanoribbon (AGNR). Our calculated results show that the Co atom embedded in AGNR gives rise to significant impacts on the band structures and the FM spin configuration is the ground state. The presence of the Co doping could introduce magnetic properties. The calculated results revealed the arising of spin gapless semiconductor characteristics with doping near the edge in both ferromagnetic (FM) and antiferromagnetic (AFM) magnetic configurations, suggesting the robustness for potential application of spintronics. Moreover, the electronic structures of the Co-doped AGNRs are strongly dependent on the doping sites and the edge configurations.

Family-dependent magnetism in atomic boron adsorbed armchair graphene nanoribbons

2019 ◽  
Vol 7 (21) ◽  
pp. 6241-6245 ◽  
Author(s):  
Wei-Wei Yan ◽  
Xiao-Fei Li ◽  
Xiang-Hua Zhang ◽  
Xinrui Cao ◽  
Mingsen Deng
Keyword(s):  
Fermi Level ◽  
Graphene Nanoribbons ◽  
Spin Splitting ◽  
Localized State ◽  
The Family ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene ◽  
Boron Adsorption

Boron adsorption induces a heavily localized state right at the Fermi level only in the family of W = 3p + 1 and thus spin-splitting occurs spontaneously.

Oxygen-promoted synthesis of armchair graphene nanoribbons on Cu(111)

2021 ◽  
Author(s):  
Penghui Ji ◽  
Oliver MacLean ◽  
Gianluca Galeotti ◽  
Dominik Dettmann ◽  
Giulia Berti ◽  
...  
Keyword(s):  
Graphene Nanoribbons ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene
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