scholarly journals Tuning the electron transport of molecular junctions by chemically functionalizing anchoring groups: First-principles study

2012 ◽  
Vol 85 (24) ◽  
Author(s):  
Shigeru Tsukamoto ◽  
Vasile Caciuc ◽  
Nicolae Atodiresei ◽  
Stefan Blügel
Keyword(s):  
Electron Transport ◽  
First Principles ◽  
Molecular Junctions ◽  
First Principles Study ◽  
Anchoring Groups

Effects of Electrodes and Nitrogen-Atom Locations on Electron Transport in C59N Molecular Junctions: A First-Principles Study

2013 ◽  
Vol 118 (1) ◽  
pp. 617-626 ◽  
Author(s):  
Shundong Yuan ◽  
Shiyan Wang ◽  
Qunbo Mei ◽  
Qidan Ling ◽  
Lianhui Wang ◽  
...  
Keyword(s):  
Electron Transport ◽  
Nitrogen Atom ◽  
First Principles ◽  
Molecular Junctions ◽  
First Principles Study

Rectifying Effect in Polar Conjugated Molecular Junctions: A First-Principles Study

2009 ◽  
Vol 9 (2) ◽  
pp. 774-778 ◽  
Author(s):  
Jing Huang ◽  
Qunxiang Li ◽  
Zhenyu Li ◽  
Jinlong Yang
Keyword(s):  
First Principles ◽  
Molecular Junctions ◽  
First Principles Study

First-principles study on electron transport of carbon dumbbells C60-Cn-C60

2011 ◽  
Vol 135 (4) ◽  
pp. 044703 ◽  
Author(s):  
R. N. Wang ◽  
X. H. Zheng ◽  
L. L. Song ◽  
Z. Zeng
Keyword(s):  
Electron Transport ◽  
First Principles ◽  
First Principles Study
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