First-Principles Study of Electron Transport through the Single-Molecule MagnetMn12

Physical Review Letters ◽

10.1103/physrevlett.102.246801 ◽

2009 ◽

Vol 102 (24) ◽

Author(s):

Salvador Barraza-Lopez ◽

Kyungwha Park ◽

Víctor García-Suárez ◽

Jaime Ferrer

Keyword(s):

Electron Transport ◽

Single Molecule ◽

First Principles ◽

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 ◽

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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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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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 ◽

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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First-principles study on photoswitching behavior and negative differential resistance in single molecule junction

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.05.040 ◽

2017 ◽

Vol 1115 ◽

pp. 185-189 ◽

Author(s):

Baoan Bian ◽

Yapeng Zheng ◽

Peipei Yuan ◽

Bin Liao ◽

Wei Chen ◽

...

Keyword(s):

Single Molecule ◽

First Principles ◽

Negative Differential Resistance ◽

Differential Resistance ◽

First Principles Study ◽

Molecule Junction ◽

Single Molecule Junction

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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) ◽

Author(s):

Shigeru Tsukamoto ◽

Vasile Caciuc ◽

Nicolae Atodiresei ◽

Stefan Blügel

Keyword(s):

Electron Transport ◽

Chemical Modification ◽

First Principles ◽

Molecular Junctions ◽

First Principles Study ◽

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First-principles study on quantum-transport properties of single molecule depending on adsorption conditions

Computer Physics Communications ◽

10.1016/j.cpc.2010.07.032 ◽

2011 ◽

Vol 182 (1) ◽

pp. 103-105 ◽

Author(s):

Yoshiyuki Egami ◽

Keita Yamada

Keyword(s):

Transport Properties ◽

Quantum Transport ◽

Single Molecule ◽

First Principles ◽

First Principles Study

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Conductance of Stretching Oligothiophene Single-Molecule Junctions: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/jp209671v ◽

2011 ◽

Vol 115 (50) ◽

pp. 25105-25108 ◽

Author(s):

Y.-H. Tang ◽

V. M. K. Bagci ◽

Jing-Han Chen ◽

Chao-Cheng Kaun

Keyword(s):

Single Molecule ◽

First Principles ◽

First Principles Study ◽

Single Molecule Junctions

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First-principles study of the electron transport through conjugated molecular wires with different carbon backbones

Superlattices and Microstructures ◽

10.1016/j.spmi.2012.01.003 ◽

2012 ◽

Vol 51 (3) ◽

pp. 396-403 ◽

Author(s):

Jinhuan Yao ◽

Yanwei Li ◽

Zhengguang Zou ◽

Hongbo Wang ◽

Yufang Shen

Keyword(s):

Electron Transport ◽

First Principles ◽

Molecular Wires ◽

First Principles Study

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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) ◽

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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Electrostatic and dynamical effects of an aqueous solution on the zero-bias conductance of a single molecule: A first-principles study

Physical Review B ◽

10.1103/physrevb.80.073409 ◽

2009 ◽

Vol 80 (7) ◽

Author(s):

Arihiro Tawara ◽

Tomofumi Tada ◽

Satoshi Watanabe

Keyword(s):

Aqueous Solution ◽

Single Molecule ◽

First Principles ◽

Zero Bias ◽

First Principles Study ◽

Zero Bias Conductance

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