scholarly journals Tunable conductance and spin filtering in twisted bilayer copper phthalocyanine molecular devices

2021 ◽  
Author(s):  
Jianhua Liu ◽  
kun luo ◽  
Kailiang Huang ◽  
bing sun ◽  
Shengli Zhang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Quantum Transport ◽  
Copper Phthalocyanine ◽  
Graphene Nanoribbons ◽  
Bottom Layer ◽  
Molecular Devices ◽  
Molecular Device ◽  
Spin Filtering

We investigate theoretically the quantum transport properties of a twisted bilayer copper phthalocyanine (CuPc) molecular device, in which the bottom layer CuPc molecule is connected to V-shaped zigzag-edged graphene nanoribbons...

scholarly journals Transport properties of a three-shell icosahedral matryoshka cluster: a first-principles study

RSC Advances ◽  
2017 ◽  
Vol 7 (21) ◽  
pp. 12704-12710 ◽  
Author(s):  
Lu Zhang ◽  
Jing Huang ◽  
Weiyi Wang ◽  
Qunxiang Li ◽  
Jinlong Yang
Keyword(s):  
Transport Properties ◽  
Magnetic Moment ◽  
First Principles ◽  
Molecular Devices ◽  
Molecular Junction ◽  
First Principles Study ◽  
Cluster A ◽  
Filtering Effect ◽  
Spin Filtering

The molecular junction based on three-shell icosahedral matryoshka cluster with huge magnetic moment exhibits robust spin-filtering effect, which highlights it for promising applications in molecular devices.

Tuning the electronic and quantum transport properties of nitrogenated holey graphene nanoribbons

2017 ◽  
Vol 5 (45) ◽  
pp. 11856-11866 ◽  
Author(s):  
Aldilene Saraiva-Souza ◽  
Manuel Smeu ◽  
José Gadelha da Silva Filho ◽  
Eduardo Costa Girão ◽  
Hong Guo
Keyword(s):  
Transport Properties ◽  
Quantum Transport ◽  
Negative Differential Resistance ◽  
Graphene Nanoribbons ◽  
Differential Resistance ◽  
Linear Current ◽  
Current Voltage ◽  
Non Linear ◽  
Current Voltage Characteristics ◽  
Peak To Valley Ratio

Strong negative differential resistance (NDR) behavior with a remarkable current peak-to-valley ratio for armchair C2N-hNRs and non-linear current–voltage characteristics for zigzag C2N-hNRs.

Effect of Metallic Electrodes Ensemble on Charge Transport Characteristics of Cytosine Based Molecular Devices

2019 ◽  
Vol 14 (11) ◽  
pp. 1589-1596 ◽  
Author(s):  
Rajan Vohra ◽  
Ravinder Singh Sawhney
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Electrode Materials ◽  
Molecular Devices ◽  
Molecular Device ◽  
Transport Parameters ◽  
Hückel Theory ◽  
Silver Electrodes ◽  
Homo Lumo ◽  
Non Equilibrium

The charge transport through molecular devices using an ensemble of metal electrodes having nucleobase cytosine as the central molecule has been envisaged using a combination of semi-empirical Extended Huckel Theory and Non Equilibrium Green Function (NEGF). FFT-2D computational approach has been effectively applied to elucidate the electron transport characteristics of these molecular devices under both equilibrium as well as non-equilibrium states. The charge transport parameters viz. Device Density of States, Transmission Spectrum, I–V curve, G–V curve and HOMO-LUMO Gap are measured to exhibit the charge transport properties. By comparing the obtained quantum transport properties, we observe that silver remains the best choice among the three electrode materials under study as the molecular device with the silver electrodes exhibits the lower HOMO-LUMO Gap with increased current and conductance for the higher bias voltages in contrast to the other two configurations which show comparatively higher value of HOMO-LUMO Gap. Hence, the molecular device with the silver electrodes has greater possibility of getting utilized as a switch in DNA based nano-electronics applications.

Negative differential resistance, perfect spin-filtering effect and tunnel magnetoresistance in vanadium-doped zigzag blue phosphorus nanoribbons

2018 ◽  
Vol 20 (32) ◽  
pp. 21105-21112 ◽  
Author(s):  
Si-Cong Zhu ◽  
Shun-Jin Peng ◽  
Kai-Ming Wu ◽  
Cho-Tung Yip ◽  
Kai-Lun Yao ◽  
...  
Keyword(s):  
Transport Properties ◽  
Quantum Transport ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
Tunnel Magnetoresistance ◽  
Filtering Effect ◽  
Spin Filtering

We investigate the electronic and transport properties of vanadium-doped zigzag blue phosphorus nanoribbons by first-principles quantum transport calculations.

A molecular device providing a remarkable spin filtering effect due to the central molecular stretch caused by lateral zigzag graphene nanoribbon electrodes

2020 ◽  
Vol 22 (12) ◽  
pp. 6755-6762 ◽  
Author(s):  
Xiaoyue Liu ◽  
Jueming Yang ◽  
Xingwu Zhai ◽  
Hongxia Yan ◽  
Yanwen Zhang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Graphene Nanoribbon ◽  
Molecular Devices ◽  
Molecular Device ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Filtering Effect ◽  
Spin Filtering

Through the density functional theory, we studied molecular devices composed of single tetrathiafulvalene (TTF) molecules connected with zigzag graphene nanoribbon electrodes by four different junctions.

scholarly journals Transport property of ligand-driven light-induced spin-change Fe-based spin crossover complexes

RSC Advances ◽  
2019 ◽  
Vol 9 (22) ◽  
pp. 12339-12345 ◽  
Author(s):  
Feifei Li ◽  
Jing Huang ◽  
Yujie Hu ◽  
Qunxiang Li
Keyword(s):  
Transport Properties ◽  
Transport Property ◽  
Spin Crossover ◽  
Molecular Devices ◽  
Spin Crossover Complexes ◽  
Spin Filtering

The transport properties of LD-LISC Fe-based SCO complexes with the trans and cis configuration exhibit robust spin-filtering and NDR features, which highlight them for promising applications in molecular devices.

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