scholarly journals Length-Dependent Electronic Transport Properties of the ZnO Nanorod

Micromachines ◽  
2018 ◽  
Vol 10 (1) ◽  
pp. 26
Author(s):  
Baorui Huang ◽  
Fuchun Zhang ◽  
Yanning Yang ◽  
Zhiyong Zhang
Keyword(s):  
Transport Properties ◽  
Bias Voltage ◽  
Electronic Transport ◽  
Density Functional ◽  
Interface State ◽  
Zno Nanorod ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Integrated Devices ◽  
Potential Applications

The two-probe device of nanorod-coupled gold electrodes is constructed based on the triangular zinc oxide (ZnO) nanorod. The length-dependent electronic transport properties of the ZnO nanorod was studied by density functional theory (DFT) with the non-equilibrium Green’s function (NEGF). Our results show that the current of devices decreases with increasing length of the ZnO nanorod at the same bias voltage. Metal-like behavior for the short nanorod was observed under small bias voltage due to the interface state between gold and the ZnO nanorod. However, the influence of the interface on the device was negligible under the condition that the length of the ZnO nanorod increases. Moreover, the rectification behavior was observed for the longer ZnO nanorod, which was analyzed from the transmission spectra and molecular-projected self-consistent Hamiltonian (MPSH) states. Our results indicate that the ZnO nanorod would have potential applications in electronic-integrated devices.

scholarly journals Effect of chemical modification on electronic transport properties of carbyne

2021 ◽  
Author(s):  
G. R. Berdiyorov ◽  
U. Khalilov ◽  
H. Hamoudi ◽  
Erik C. Neyts
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Structural Changes ◽  
Carbon Chain ◽  
Functional Formalism ◽  
Functional Theory ◽  
Carbon Allotrope ◽  
Electronic Transport Properties ◽  
Interface Structures

AbstractUsing density functional theory in combination with the Green’s functional formalism, we study the effect of surface functionalization on the electronic transport properties of 1D carbon allotrope—carbyne. We found that both hydrogenation and fluorination result in structural changes and semiconducting to metallic transition. Consequently, the current in the functionalization systems increases significantly due to strong delocalization of electronic states along the carbon chain. We also study the electronic transport in partially hydrogenated carbyne and interface structures consisting of pristine and functionalized carbyne. In the latter case, current rectification is obtained in the system with rectification ratio up to 50%. These findings can be useful for developing carbyne-based structures with tunable electronic transport properties.

Ab-initio calculations on the structural and electronic transport properties of five-atom GaN clusters

2019 ◽  
Vol 33 (29) ◽  
pp. 1950347 ◽  
Author(s):  
Xiao-Chong Liang ◽  
Xiao-Jiang Long ◽  
Lin Zhang ◽  
Jun Zhu
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Differential Resistance ◽  
Pso Algorithm ◽  
Binding Energies ◽  
Functional Theory ◽  
Swarm Optimization ◽  
Electronic Transport Properties ◽  
Stable Structures

The structural and electronic transport properties of [Formula: see text] clusters are studied based on density functional theory (DFT). Their most stable structures are proved to be planar by the particle swarm optimization (PSO) algorithm, and have decreasing binding energies with the increasing number of Ga atom in clusters. The electronic transport properties of these clusters connected with two Al(1 0 0) electrodes are calculated by combining nonequilibrium Green’s-function (NEGF) with DFT. Most of them have an equilibrium conductance of above [Formula: see text], except for [Formula: see text]. Negative differential resistance (NDR) phenomenon of different level is observed in their I–V curves in bias ranges of from [Formula: see text] to [Formula: see text] V and from 0.7 to 1.1 V.

Electronic Transport Properties of SiC Nanotube with Antisite Defect

2011 ◽  
Vol 110-116 ◽  
pp. 5495-5499
Author(s):  
Jiu Xu Song ◽  
Hong Xia Liu
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Wide Band ◽  
Antisite Defect ◽  
Wide Band Gap ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Current Voltage ◽  
Sic Nanotube

The electronic transport properties of an (8, 0) SiC nanotube (SiCNT) with antisite defect are investigated with the method combined non-equilibrium Green’s function with density functional theory, in which the defect is formed with a carbon atom being substituted by a silicon atom. In transmission spectrum of the nanotube, a transmission valley about 1.68 eV near the Fermi energy is discovered, which indicates that the nanotube is a wide band-gap semiconductor. In its current-voltage characteristic, turn-on voltages of ±1.0 V are found under positive and negative bias. This originates from more orbital participating in its electronic transport properties caused by the bias. These results are meaningful to investigations on working mechanisms of SiCNT electronic devices.

The switching behaviors induced by torsion angle in a diblock co-oligomer molecule with tailoring graphene nanoribbon electrodes

2018 ◽  
Vol 32 (04) ◽  
pp. 1850036 ◽  
Author(s):  
Aiyun Yang ◽  
Caijuan Xia ◽  
Boqun Zhang ◽  
Jun Wang ◽  
Yaoheng Su ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Torsion Angle ◽  
Density Functional ◽  
Graphene Nanoribbon ◽  
Molecular Device ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Current Voltage ◽  
Current Voltage Characteristics

By applying first-principles method based on density functional theory combined with nonequilibrium Green’s function, we investigate the effect of torsion angle on the electronic transport properties in dipyrimidinyl–diphenyl co-oligomer molecular device with tailoring graphene nanoribbon electrodes. The results show that the torsion angle plays an important role on the electronic transport properties of the molecular device. When the torsion angle rotates from 0[Formula: see text] to 90[Formula: see text], the molecular devices exhibit very different current–voltage characteristics which can realize the on and off states of the molecular switch.

Multifunctional heterostructures constructed using MoS2 and WS2 nanoribbons

2016 ◽  
Vol 18 (39) ◽  
pp. 27468-27475 ◽  
Author(s):  
Yi Zhou ◽  
Jichen Dong ◽  
Hui Li
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Nonequilibrium Green's Function

Using first-principles calculations based on nonequilibrium Green's function together with density functional theory, we investigated the electronic transport properties of some devices consisting of armchair and zigzag MoS2NRs/WS2NRs in-plane heterostructures.

Electronic Transport Properties of the Azobenzene-Based Optical Molecular Switch with Different Substituents

2011 ◽  
Vol 284-286 ◽  
pp. 816-819
Author(s):  
Cai Juan Xia ◽  
Han Chen Liu ◽  
Jing Wang
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Molecular Switch ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Switching Performance ◽  
Donor And Acceptor ◽  
Donor Acceptor ◽  
Theoretical Results

By applying nonequilibrium Green’s function formalism combined first-principles density functional theory, we investigate the electronic transport properties of the azobenzene -based optical molecular switch with different substituents. Theoretical results show that the donor/acceptor substituent plays an important role in the electronic transport of molecular devices. The switching performance can be improved to some extent through suitable donor and acceptor substituents.

Electronic transport properties of a dithienylethene-based polymer with different metallic contacts

RSC Advances ◽  
2014 ◽  
Vol 4 (77) ◽  
pp. 40941-40950 ◽  
Author(s):  
Jingfen Zhao ◽  
Wenkai Zhao ◽  
Bin Cui ◽  
Changfeng Fang ◽  
Yuqing Xu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Electronic Transport ◽  
Metal Surfaces ◽  
Density Functional ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Nonequilibrium Green’S Functions ◽  
Metallic Contacts ◽  
Nonequilibrium Green's Functions

We have studied the electronic transport behaviors of a dithienylethene-based polymer between two metal surfaces using nonequilibrium Green's functions combined with density functional theory.

Perfect rectifying behavior induced by AA-P2 dopants in armchair silicene nanoribbon devices

RSC Advances ◽  
2016 ◽  
Vol 6 (9) ◽  
pp. 7042-7047 ◽  
Author(s):  
Caiping Cheng ◽  
Huifang Hu ◽  
Zhaojin Zhang ◽  
Haibo Zhang
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Function Method ◽  
Band Structures ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Silicene Nanoribbons ◽  
Non Equilibrium Green’S Function

The band structures and electronic transport properties of AA-P2-doped armchair silicene nanoribbons (ASiNRs) were investigated by applying density-functional theory in combination with the non-equilibrium Green’s function method.

Controlling the electronic transport properties of the tetrapyrimidinyl molecule with atom modified sulfur bridge

RSC Advances ◽  
2015 ◽  
Vol 5 (14) ◽  
pp. 10675-10679 ◽  
Author(s):  
Jie Ma ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Transport ◽  
Density Functional ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Nonequilibrium Green's Function ◽  
Probe System

The effect of the modified sulfur bridge on the I–V characteristics of a two-probe system of tetrapyrimidinyl molecules and Au electrodes is explored based on density functional theory with nonequilibrium Green's function.

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