Effect of Chemical Modifications on the Electronic Transport Properties of the Optical Molecular Switch

2012 ◽  
Vol 51 (1) ◽  
pp. 011601
Author(s):  
Cai-Juan Xia ◽  
De-Sheng Liu ◽  
Han-Chen Liu ◽  
Ying-Tang Zhang
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Molecular Switch ◽  
Chemical Modifications ◽  
Electronic Transport Properties

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.

THE ELECTRONIC TRANSPORT PROPERTIES IN NAPHTHOPYRAN-BASED OPTICAL MOLECULAR SWITCH WITH CARBON NANOTUBE ELECTRODES

2013 ◽  
Vol 12 (07) ◽  
pp. 1350068
Author(s):  
CAI-JUAN XIA ◽  
DE-HUA ZHANG ◽  
YING-TANG ZHANG
Keyword(s):  
Carbon Nanotube ◽  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Molecular Switch ◽  
Functional Theory ◽  
Single Walled Carbon Nanotube ◽  
Electronic Transport Properties ◽  
Switching Characteristics ◽  
Theoretical Results

By applying nonequilibrium Green's function (NEGF) formalism combined first-principles density functional theory (DFT), we investigate the electronic transport properties of optical molecular switch based on the naphthopyran molecule with two different single-walled carbon nanotube (SWCNT) electrodes. The molecule that comprises the switch can convert between the closed and open forms upon photoexcitation. Theoretical results show that these two forms exhibit very different conductance properties both in armchair and zigzag junction, which can realize the on and off states of the molecular switch. Meantime, the chirality of the SWCNT electrodes strongly affects the switching characteristics of the molecular junctions. The maximum value of on–off ratio can reach 292 at 1.6 V for the switch with zigzag SWCNT electrodes.

Effect of Chirality on the Electronic Transport Properties of the Thioxanthene-Based Molecular Switch

2016 ◽  
Vol 33 (4) ◽  
pp. 047101 ◽  
Author(s):  
Cai-Juan Xia ◽  
Bo-Qun Zhang ◽  
Mao Yang ◽  
Chun-Lan Wang ◽  
Ai-Yun Yang
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Molecular Switch ◽  
Electronic Transport Properties
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