scholarly journals Structural, magnetic, and transport properties of substitutionally doped graphene nanoribbons from first principles

2011 ◽  
Vol 83 (15) ◽  
Author(s):  
E. Cruz-Silva ◽  
Z. M. Barnett ◽  
B. G. Sumpter ◽  
V. Meunier
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Doped Graphene

First-principles study of electronic transport properties of graphene nanoribbons with pentagon-heptagon (5-7) line defects

2015 ◽  
Vol 1727 ◽  
Author(s):  
Yasutaka Nishida ◽  
Takashi Yoshida ◽  
Fumihiko Aiga ◽  
Yuichi Yamazaki ◽  
Hisao Miyazaki ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
Graphene Nanoribbons ◽  
Edge State ◽  
Line Defect ◽  
Electronic Transport Properties ◽  
Current Voltage ◽  
Line Defects

ABSTRACTIn this study, we investigated the influence of line defects consisting of pentagon-heptagon (5-7) pairs on the electronic transport properties of zigzag-edged and armchair-edged graphene nanoribbons (GNRs). Using the first-principles density functional theory, we study their electronic properties. To investigate their current-voltage (I-V) characteristics at low bias voltage (∼ 1 meV), we use the nonequilibrium Green’s function method. As a result, we found that the conductance of the GNRs having a connected line defect between source and drain shows better performance than that of the ideal zigzag-edged GNRs (ZGNRs). A detailed investigation of the transmission spectra and the wave function around the Fermi level reveals that the line defects arranged along the transport direction work similar to an edge state of the ZGNRs and can be an additional conduction channel. Our results suggest that such a line defect can be effective for low-resistance GNR interconnects.

scholarly journals CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

AIP Advances ◽  
2016 ◽  
Vol 6 (12) ◽  
pp. 125102 ◽  
Author(s):  
G. R. Berdiyorov ◽  
H. Abdullah ◽  
M. Al Ezzi ◽  
G. V. Rakhmatullaeva ◽  
H. Bahlouli ◽  
...  
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Co2 Adsorption ◽  
Graphene Nanoribbons ◽  
Doped Graphene

Conductive metal adatoms adsorbed on graphene nanoribbons: a first-principles study of electronic structures, magnetization and transport properties

2017 ◽  
Vol 5 (16) ◽  
pp. 4053-4062 ◽  
Author(s):  
Cai Xia Wu ◽  
Shi Zheng Wen ◽  
Li Kai Yan ◽  
Min Zhang ◽  
Teng Ying Ma ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Graphene Nanoribbons ◽  
First Principles Study

Metal adatoms have crucial effects on the transport properties of devices and exhibit different effects on 6ZGNR-based and 7ZGNR-based devices. The 7ZGNR-based devices show the opposite conductive order in 6ZGNR-based devices.

scholarly journals Fluorination-enriched electronic and magnetic properties in graphene nanoribbons

2017 ◽  
Vol 19 (31) ◽  
pp. 20667-20676 ◽  
Author(s):  
Duy Khanh Nguyen ◽  
Yu-Tsung Lin ◽  
Shih-Yang Lin ◽  
Yu-Huang Chiu ◽  
Ngoc Thanh Thuy Tran ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene

The feature-rich electronic and magnetic properties of fluorine-doped graphene nanoribbons are investigated by the first-principles calculations.

Electronic and Transport Properties of Boron-Doped Graphene Nanoribbons

2007 ◽  
Vol 98 (19) ◽  
Author(s):  
T. B. Martins ◽  
R. H. Miwa ◽  
Antônio J. R. da Silva ◽  
A. Fazzio
Keyword(s):  
Transport Properties ◽  
Graphene Nanoribbons ◽  
Boron Doped ◽  
Doped Graphene

First-principles study of chemical-edge-doping effect on transport properties of armchair-edge graphene nanoribbons

2014 ◽  
Vol 54 (1) ◽  
pp. 015101 ◽  
Author(s):  
Yasutaka Nishida ◽  
Takashi Yoshida ◽  
Fumihiko Aiga ◽  
Yuichi Yamazaki ◽  
Hisao Miyazaki ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Doping Effect ◽  
First Principles Study
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