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Spin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study

New journal of physics, 2020-06, Vol.22 (6), p.63022

2020

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Boron-Doped Graphene Nanoribbons: Electronic Structure and Raman Fingerprint

ACS nano, 2018-08, Vol.12 (8), p.7571-7582

2018

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Molecular Scale Control of Unbound and Bound C60 for Topochemical Ultradense Data Storage in an Ultrathin C60 Film

Advanced materials (Weinheim), 2010-04, Vol.22 (14), p.1622-1625

2010

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Electronic Structures of Quaterthiophene and Septithiophene on Cu(111): Spatial Distribution of Adsorption-Induced States Studied by STM and DFT Calculation

Journal of physical chemistry. C, 2016-03, Vol.120 (12), p.6681-6688

2016

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Chemical Wiring and Soldering toward All-Molecule Electronic Circuitry

Journal of the American Chemical Society, 2011-06, Vol.133 (21), p.8227-8233

2011

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Analysis and visualization of water flow impact on hydrogen production efficiency in solid polymer water electrolyzer under high-pressure condition

International journal of hydrogen energy, 2015-05, Vol.40 (18), p.5995-6003

2015

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Calculation of the Green's function in the scattering region for first-principles electron-transport simulations

Physical review research, 2021-01, Vol.3 (1), Article 013038

2021

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First-principles calculation method for electron transport based on the grid Lippmann-Schwinger equation

Physical review. E, Statistical, nonlinear, and soft matter physics, 2015-09, Vol.92 (3), p.033301-033301, Article 033301

2015

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Improvement of accuracy in the wave-function-matching method for transport calculations

Physical review. B, 2018-03, Vol.97 (11), Article 115450

2018

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Efficient calculation of self-energy matrices for electron-transport simulations

Physical review. B, 2019-08, Vol.100 (7), p.1, Article 075413

2019

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Complex band structure calculations based on the overbridging boundary matching method without using Green's functions

Physical review. B, 2018-11, Vol.98 (19), Article 195422

2018

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Initial stage of adsorption of octithiophene molecules on Cu(111)

Surface science, 2011-06, Vol.605 (11), p.1021-1026

2011

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Atomic force microscopy and theoretical investigation of the lifted-up conformation of polydiacetylene on a graphite substrate

Soft matter, 2008-01, Vol.4 (5), p.1041-1047

2008

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Contour integral method for obtaining the self-energy matrices of electrodes in electron transport calculations

Physical review. B, 2018-05, Vol.97 (19), Article 195449

2018

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Self-energy matrices for electron transport calculations within the real-space finite-difference formalism

Physical review. E, 2017-03, Vol.95 (3), Article 033309

2017

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Octithiophene on Cu(111) and Au(111): Formation and Electronic Structure of Molecular Chains and Films

Journal of nanoscience and nanotechnology, 2012-05, Vol.12 (5), p.4007-4011

2012

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Ballistic Electron Transport Through Nanostructure Junctions from a Real-Space Finite-Difference Approach

Quantum matter, 2015-10, Vol.4 (5), p.403-415

2015

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One-dimensional surface reconstruction as an atomic-scale template for the growth of periodically striped Ag films

Physical review letters, 2006-04, Vol.96 (13), p.136104-136104, Article 136104

2006

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Local dimerization and dedimerization of C60 molecules under a tip of scanning tunneling microscope: A first-principles study

Carbon (New York), 2020-04, Vol.159, p.638-647

2020

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Mechanisms of electron transport through bellows-shaped fullerene tubes

The Journal of chemical physics, 2005-02, Vol.122 (7), p.074702-074702

2005

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Real-space method for first-principles electron transport calculations: Self-energy terms of electrodes for large systems

Physical review. B, 2016-01, Vol.93 (4), Article 045421

2016

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Molecular Scale Control of Unbound and Bound C 60 for Topochemical Ultradense Data Storage in an Ultrathin C 60 Film

Advanced materials (Weinheim), 2010-04, Vol.22 (14), p.1622-1625

2010

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Selecting the Reaction Path in On-Surface Synthesis through the Electron Chemical Potential in Graphene

Journal of the American Chemical Society, 2022-06, Vol.144 (24), p.11003-11009

2022

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Uniaxially Aligned 1D Sandwich-Molecular Wires: Electronic Structure and Magnetism

Journal of physical chemistry. C, 2022-02, Vol.126 (6), p.3140-3150

2022

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Tailoring magnetic anisotropy by graphene-induced selective skyhook effect on 4f-metals

Nanoscale, 2022-05, Vol.14 (2), p.7682-7691

2022

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Spin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study

Boron-Doped Graphene Nanoribbons: Electronic Structure and Raman Fingerprint

Molecular Scale Control of Unbound and Bound C60 for Topochemical Ultradense Data Storage in an Ultrathin C60 Film

Electronic Structures of Quaterthiophene and Septithiophene on Cu(111): Spatial Distribution of Adsorption-Induced States Studied by STM and DFT Calculation

Chemical Wiring and Soldering toward All-Molecule Electronic Circuitry

Analysis and visualization of water flow impact on hydrogen production efficiency in solid polymer water electrolyzer under high-pressure condition

Calculation of the Green's function in the scattering region for first-principles electron-transport simulations

First-principles calculation method for electron transport based on the grid Lippmann-Schwinger equation

Improvement of accuracy in the wave-function-matching method for transport calculations

Efficient calculation of self-energy matrices for electron-transport simulations

Complex band structure calculations based on the overbridging boundary matching method without using Green's functions

Initial stage of adsorption of octithiophene molecules on Cu(111)

Atomic force microscopy and theoretical investigation of the lifted-up conformation of polydiacetylene on a graphite substrate

Contour integral method for obtaining the self-energy matrices of electrodes in electron transport calculations

Self-energy matrices for electron transport calculations within the real-space finite-difference formalism

Octithiophene on Cu(111) and Au(111): Formation and Electronic Structure of Molecular Chains and Films

Ballistic Electron Transport Through Nanostructure Junctions from a Real-Space Finite-Difference Approach

One-dimensional surface reconstruction as an atomic-scale template for the growth of periodically striped Ag films

Local dimerization and dedimerization of C60 molecules under a tip of scanning tunneling microscope: A first-principles study

Mechanisms of electron transport through bellows-shaped fullerene tubes

Real-space method for first-principles electron transport calculations: Self-energy terms of electrodes for large systems

Molecular Scale Control of Unbound and Bound C 60 for Topochemical Ultradense Data Storage in an Ultrathin C 60 Film

Selecting the Reaction Path in On-Surface Synthesis through the Electron Chemical Potential in Graphene

Uniaxially Aligned 1D Sandwich-Molecular Wires: Electronic Structure and Magnetism

Tailoring magnetic anisotropy by graphene-induced selective skyhook effect on 4f-metals

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