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

Shundong Yuan; Shiyan Wang; Qunbo Mei; Qidan Ling; Lianhui Wang; Wei Huang

doi:10.1021/jp407395d

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

The Journal of Physical Chemistry C ◽

10.1021/jp407395d ◽

2013 ◽

Vol 118 (1) ◽

pp. 617-626 ◽

Cited By ~ 8

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

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First-Principles Study on Formation and Electron-Transport Properties of Single Oligothiophene Molecular Junctions

The Journal of Physical Chemistry C ◽

10.1021/jp200017x ◽

2011 ◽

Vol 115 (31) ◽

pp. 15586-15591 ◽

Cited By ~ 18

Author(s):

Zong-Liang Li ◽

Guang-Ping Zhang ◽

Chuan-Kui Wang

Keyword(s):

Electron Transport ◽

Transport Properties ◽

First Principles ◽

Molecular Junctions ◽

First Principles Study ◽

Electron Transport Properties

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Tuning electron transport through molecular junctions by chemical modification of the molecular core: First-principles study

Physical Review B ◽

10.1103/physrevb.88.125436 ◽

2013 ◽

Vol 88 (12) ◽

Cited By ~ 3

Author(s):

Shigeru Tsukamoto ◽

Vasile Caciuc ◽

Nicolae Atodiresei ◽

Stefan Blügel

Keyword(s):

Electron Transport ◽

Chemical Modification ◽

First Principles ◽

Molecular Junctions ◽

First Principles Study ◽

Molecular Core

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

Physical Review B ◽

10.1103/physrevb.85.245435 ◽

2012 ◽

Vol 85 (24) ◽

Cited By ~ 8

Author(s):

Shigeru Tsukamoto ◽

Vasile Caciuc ◽

Nicolae Atodiresei ◽

Stefan Blügel

Keyword(s):

Electron Transport ◽

First Principles ◽

Molecular Junctions ◽

First Principles Study ◽

Anchoring Groups

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First-Principles Study for Detection of Inelastic Electron Transport in Molecular Junctions by Internal Substitution

The Journal of Physical Chemistry C ◽

10.1021/jp9114223 ◽

2010 ◽

Vol 114 (28) ◽

pp. 12280-12289 ◽

Cited By ~ 17

Author(s):

Hisao Nakamura

Keyword(s):

Electron Transport ◽

First Principles ◽

Molecular Junctions ◽

Inelastic Electron ◽

First Principles Study

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Effect of molecular structure on spin-dependent electron transport in biferrocene-based molecular junctions: a first-principles study

Journal of Computational Electronics ◽

10.1007/s10825-017-0968-9 ◽

2017 ◽

Vol 16 (2) ◽

pp. 340-346 ◽

Cited By ~ 9

Author(s):

Shundong Yuan ◽

Shiyan Wang ◽

Yudou Wang ◽

Qidan Ling

Keyword(s):

Molecular Structure ◽

Electron Transport ◽

First Principles ◽

Molecular Junctions ◽

First Principles Study

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

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2009.c022 ◽

2009 ◽

Vol 9 (2) ◽

pp. 774-778 ◽

Cited By ~ 20

Author(s):

Jing Huang ◽

Qunxiang Li ◽

Zhenyu Li ◽

Jinlong Yang

Keyword(s):

First Principles ◽

Molecular Junctions ◽

First Principles Study

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

The Journal of Chemical Physics ◽

10.1063/1.3613647 ◽

2011 ◽

Vol 135 (4) ◽

pp. 044703 ◽

Cited By ~ 11

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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First-principles study of substituents effect on molecular junctions: Towards molecular rectification

Computational Materials Science ◽

10.1016/j.commatsci.2007.09.018 ◽

2008 ◽

Vol 42 (4) ◽

pp. 638-642 ◽

Cited By ~ 22

Author(s):

Yanwei Li ◽

Geping Yin ◽

Jinhuan Yao ◽

Jianwei Zhao

Keyword(s):

First Principles ◽

Molecular Junctions ◽

First Principles Study ◽

Molecular Rectification

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Electron Transport in Graphene-Versus Al/Pd-Coated Thin Cu Films With Low-Surface Roughness: A First Principles Study

IEEE Access ◽

10.1109/access.2019.2925459 ◽

2019 ◽

Vol 7 ◽

pp. 84858-84865

Author(s):

Manareldeen Ahmed ◽

Erping Li ◽

Yongjian Li

Keyword(s):

Surface Roughness ◽

Electron Transport ◽

First Principles ◽

Cu Films ◽

First Principles Study

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Quantum phonon transport of molecular junctions amide-linked with carbon nanotubes: A first-principles study

Physical Review B ◽

10.1103/physrevb.78.235436 ◽

2008 ◽

Vol 78 (23) ◽

Cited By ~ 12

Author(s):

J. T. Lü ◽

Jian-Sheng Wang

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Phonon Transport ◽

Molecular Junctions ◽

First Principles Study

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