The stability and electronic structure of Fe atoms embedded in zigzag graphene nanoribbons

2014 ◽  
Vol 441 ◽  
pp. 28-32 ◽  
Author(s):  
Hengshuai Li ◽  
Haiquan Hu ◽  
Chunjiang Bao ◽  
Xiaoming Zhang ◽  
Aizhu Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Graphene Nanoribbons ◽  
The Stability ◽  
Zigzag Graphene Nanoribbons

Electron Transport in Zigzag Graphene Nanoribbons with a Tetra-Vacancy Complex: A Perfect Spin Filter

2014 ◽  
Vol 937 ◽  
pp. 207-213 ◽  
Author(s):  
Wei Lu ◽  
San Huang Ke
Keyword(s):  
Electronic Structure ◽  
Electron Transport ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Wide Energy Range ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Spin Polarized ◽  
Wide Energy ◽  
Zigzag Graphene Nanoribbons

A novel doping scheme for graphene was recently realized experimentally by creating different vacancy complexes doped with a transition metal (TM) atom [nanoLett. 12, 141 (2012)]. This provides a new reliable way to modifying the electronic structure and transport property of graphene. Here, we show, by performing first-principles calculations, that the defect complex of TM@V4(a TM atom doped tetra-vacancy) in zigzag graphene nanoribbons (ZGNRs) can lead to a 100% spin-polarized electron transport in a wide energy range around the Fermi energy. Analyses show that this is due to the particular atomic structure of the TM@V4complex regardless of the species of the TM atom.

Controlling Electronic Structure and Transport Properties of Zigzag Graphene Nanoribbons by Edge Functionalization with Fluorine

2015 ◽  
Vol 119 (36) ◽  
pp. 21227-21233 ◽  
Author(s):  
Sumanta Bhandary ◽  
Gabriele Penazzi ◽  
Jonas Fransson ◽  
Thomas Frauenheim ◽  
Olle Eriksson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Graphene Nanoribbons ◽  
Zigzag Graphene Nanoribbons

Mechanical properties and electronic structure of edge-doped graphene nanoribbons with F, O, and Cl atoms

2017 ◽  
Vol 19 (32) ◽  
pp. 21474-21480
Author(s):  
Sebastián Piriz ◽  
Luciana Fernández-Werner ◽  
Helena Pardo ◽  
Paula Jasen ◽  
Ricardo Faccio ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Graphene Nanoribbons ◽  
Chlorine Atoms ◽  
Doped Graphene ◽  
Cl Atoms ◽  
Zigzag Graphene Nanoribbons

In this study, we present the structural, electronic, and mechanical properties of edge-doped zigzag graphene nanoribbons (ZGNRs) doped with fluorine, oxygen, and chlorine atoms.

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