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

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.

SPIN-POLARIZATION-DEPENDENT TRANSPORT IN GRAPHENE NANORIBBON WITH A VACANCY

2011 ◽  
Vol 10 (03) ◽  
pp. 533-538 ◽  
Author(s):  
CHUN-MEI LIU ◽  
NIAN-HUA LIU ◽  
ZHENG-FANG LIU ◽  
LI-PING AN
Keyword(s):  
Spin Polarization ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
Graphene Nanoribbons ◽  
Electronic Band ◽  
Functional Theory ◽  
Electronic Band Gap ◽  
The Stability ◽  
Dependent Transport

By using the first-principles density functional theory combining with the nonequilibrium Green’s function techniques, we investigate the electronic structure and the spin-polarization-dependent electronic transport of zigzag graphene nanoribbons (ZGNR) with a defect of vacancy. The total energy of the graphene ribbons corresponding to different vacancy locations is calculated to analyze the stability of the structures. It is found that the existence of a vacancy causes a significant change in the electronic band gap. The electronic band and the transport become spin-polarization-dependent. The calculated I–V characteristic shows that the spin-polarization-dependent effect can be enhanced under a finite bias voltage.

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.

Electrically controlled spin reversal and spin polarization of electronic transport in nanoporous graphene nanoribbons

2021 ◽  
Author(s):  
Ruisong Shen ◽  
Yandong Guo ◽  
Xiaohong Yan ◽  
Hong-Li Zeng ◽  
Miaoshen Liang ◽  
...  
Keyword(s):  
Spin Polarization ◽  
Electronic Transport ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
First Principles Calculations ◽  
Terminal Device ◽  
Spin Reversal ◽  
Nanoporous Graphene

Based on first-principles calculations, the spin-dependent electronic transport of nanoporous graphene nanoribbons is investigated. A three-terminal device is proposed, which can electronically control the spin polarization of transmission, instead of...

First-principles electronic transport calculations of graphene nanoribbons on SiO2/Si

2014 ◽  
Vol 7 (2) ◽  
pp. 025101 ◽  
Author(s):  
Hideyuki Jippo ◽  
Taisuke Ozaki ◽  
Mari Ohfuchi
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Graphene Nanoribbons

A first-principles study on the electronic transport properties of zigzag graphane/graphene nanoribbons

2017 ◽  
Vol 16 (04) ◽  
pp. 1750032 ◽  
Author(s):  
Wen Liu ◽  
Fan-Hua Meng ◽  
Jian-Hua Zhao ◽  
Xiao-Hui Jiang
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
Function Method ◽  
Graphene Nanoribbons ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
The Density Functional Theory ◽  
Non Equilibrium Green’S Function

The electronic transport properties of hybrid nanoribbons constructed by substituting zigzag graphane nanoribbons (ZGaNRs) into zigzag graphene nanoribbons (ZGNRs) are investigated with the non-equilibrium Green’s function method and the density functional theory. Both symmetric and asymmetric ZGNRs are considered. The electronic transport of symmetric and asymmetric ZGNR-based hybrid nanoribbons behave distinctly differently from each other even in the presence of the same substitution positions of ZGaNRs. Moreover, the electronic transport of these hybrid systems is found to be enhanced or weakened compared with pristine ZGNRs depending on the substitution position and proportion. Our results suggest that such hybridization is an effective approach to modulate the transport properties of ZGNRs.

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