scholarly journals Distinctive electronic transport in pyridine-based devices with narrow graphene nanoribbon electrodes

RSC Advances ◽  
2017 ◽  
Vol 7 (85) ◽  
pp. 53696-53705 ◽  
Author(s):  
Jie Li ◽  
Yunrui Duan ◽  
Yi Zhou ◽  
Tao Li ◽  
Zhenyang Zhao ◽  
...  
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Electronic Transport ◽  
Graphene Nanoribbon ◽  
Molecular Devices ◽  
Electron Transport Properties ◽  
Non Equilibrium

Two kinds of pyridine-based molecular devices with the same narrow ZGNR electrodes show different and distinctive non-equilibrium electron transport properties.

Theoretical study of electron transport properties of SimCn /Cn clusters tethered on graphene nanoribbon

2019 ◽  
Vol 45 (1) ◽  
pp. 530-538 ◽  
Author(s):  
Yujie Xia ◽  
Jie Li ◽  
Xinyue Dai ◽  
Lishu Zhang ◽  
Xingfan Zhang ◽  
...  
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Theoretical Study ◽  
Graphene Nanoribbon ◽  
Electron Transport Properties

Electron Transport Properties of Rippled Zigzag Graphene Nanoribbon

2012 ◽  
Vol 496 ◽  
pp. 251-254
Author(s):  
Zhi Kuo Tao ◽  
Jiang Wei Chen ◽  
Wei Wang ◽  
Li Chen
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Graphene Nanoribbon ◽  
Electron Transport Properties

In this paper, we present the calculated conductance of the rippled zigzag graphene nanoribbon and study the electron transport properties with different amplitude and period of the ripple. Based on the obtained results we find that, the conductance exhibits oscillation when the direction of the ripple is parallel to the direction of electronic flow and we ascribe it to the strain-induced modulated potential. For the second configure when the direction of the ripple is perpendicular to the direction of the electronic flow, we find that the conductance when energy varied around 0eV increases and then decreases with changing amplitude, for which the reason is still unknown.

EFFECT OF ANCHORING GROUPS ON ELECTRON TRANSPORT IN SINGLE MOLECULAR JUNCTIONS

2010 ◽  
Vol 09 (04) ◽  
pp. 269-272
Author(s):  
P. ARUNA PRIYA ◽  
C. PREFERENCIAL KALA ◽  
C. MUTHAMIZHCHELVAN ◽  
D. JOHN THIRUVADIGAL
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Transport Model ◽  
Molecular Junctions ◽  
Molecular Devices ◽  
Theoretical Treatment ◽  
End Groups ◽  
Electron Transport Properties ◽  
Anchoring Groups ◽  
Theoretical Results

The introduction of new molecular states originating from the anchoring groups has a profound effect on the transport properties of molecular junctions for nanodevice applications. In this work, a bipyridine molecule is anchored via dithiocarbamate, thiocarboxylate, and carboxylate end groups and is analyzed to explore the effect of these anchoring groups on transmission. Also asymmetric anchoring of molecule with Au electrodes is studied. We adopt a transport model for molecular conduction involving an extended Huckel theoretical treatment combined with nonequilibrium Green's function. We observed that the molecule with carbodithiolate linker yields significant broadening of peaks in the transmission spectra and improves significantly electron transport properties of the molecular junction. These theoretical results will help to design and fabricate future molecular devices.

scholarly journals Electron Transport Properties of PAl12-Based Cluster Complexes

2021 ◽  
Author(s):  
John Shen ◽  
Haiying He ◽  
Turbasu Sengupta ◽  
Dinesh Bista ◽  
Arthur C. Reber ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electron Transport ◽  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Functional Theory ◽  
Cluster Complexes ◽  
Electronic Transport Properties ◽  
Electron Transport Properties ◽  
Non Equilibrium Green’S Function

The electronic transport properties of PAl12-based cluster complexes are investigated by density functional theory (DFT) in combination with the non-equilibrium Green’s function (NEGF) method. Joining two PAl12 clusters via a...

Effect of Molecular Rotation on Charge Transport Phenomena

2015 ◽  
Vol 06 (02) ◽  
pp. 1550005
Author(s):  
O. P. Garg ◽  
Vijay Kr Lamba ◽  
D. K. Kaushik
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Electronic Transport ◽  
Molecular System ◽  
Theoretical Models ◽  
Molecular Sensors ◽  
Molecular Systems ◽  
Electron Transport Properties ◽  
New Applications ◽  
Structural Ensemble

The study of electron transport properties of molecular systems could be explained on the basis of the Landauer formalism. Unfortunately, due to the complexity of the experimental setup, most of these measurements have no control over the details of the electrode geometry, rotation of molecules, variation in angle of contacts, effect of fano resonances associated with side groups attached to rigid backbones, which results in a spectrum of IV-characteristics. Theoretical models can therefore help to understand and helps to develop new applications such as molecular sensors, etc. Thus we used simulation methods that generate the required structural ensemble, which is then analyzed with Green’s function methods to characterize the electronic transport properties. In present work we had discussed applications of this approach to understand the conductance in molecular system in the direction of controlling electron transport through molecules and studied the effect of rotation of sandwiched molecule.

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