Anisotropic charge transport in 1D and 2D BeN4 and MgN4 nanomaterials: A first-principles study

Charge Transport in Alkali-Metal Superoxides: A Systematic First-Principles Study

Chemistry of Materials ◽

10.1021/acs.chemmater.9b03592 ◽

2019 ◽

Vol 31 (21) ◽

pp. 9156-9167 ◽

Cited By ~ 7

Author(s):

Nicolai Rask Mathiesen ◽

Sheng Yang ◽

Juan Maria García-Lastra ◽

Tejs Vegge ◽

Donald J. Siegel

Keyword(s):

Alkali Metal ◽

Charge Transport ◽

First Principles ◽

First Principles Study

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First-principles Study on the Charge Transport Mechanism of Lithium Sulfide (Li2S) in Lithium-Sulfur Batteries

Chemistry - An Asian Journal ◽

10.1002/asia.201600007 ◽

2016 ◽

Vol 11 (8) ◽

pp. 1288-1292 ◽

Cited By ~ 17

Author(s):

B. S. Do-Hoon Kim ◽

M. S. Byungju Lee ◽

Kyu-Young Park ◽

Kisuk Kang

Keyword(s):

Charge Transport ◽

First Principles ◽

Transport Mechanism ◽

Charge Transport Mechanism ◽

First Principles Study ◽

Lithium Sulfide ◽

Lithium Sulfur Batteries ◽

Lithium Sulfur

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First-principles study of charge transport across alkene thiolate self-assembled monolayers

2006 IEEE Nanotechnology Materials and Devices Conference ◽

10.1109/nmdc.2006.4388727 ◽

2006 ◽

Author(s):

Yong-Hoon Kim ◽

William A. Goddard III

Keyword(s):

Charge Transport ◽

First Principles ◽

Self Assembled Monolayers ◽

First Principles Study ◽

Assembled Monolayers ◽

Self Assembled

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MoB2 Driven Metallic Behavior and Interfacial Charge Transport Mechanism in MoS2/MoB2 Heterostructure: A First-Principles Study

Scientific Reports ◽

10.1038/s41598-018-32850-z ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 1

Author(s):

Amreen Bano ◽

Devendra K. Pandey ◽

Anchit Modi ◽

N. K. Gaur

Keyword(s):

Charge Transport ◽

First Principles ◽

Transport Mechanism ◽

Charge Transport Mechanism ◽

Metallic Behavior ◽

First Principles Study ◽

Interfacial Charge

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The spin-charge transport properties for a graphene-based molecular junction: A first-principles study

Organic Electronics ◽

10.1016/j.orgel.2017.06.036 ◽

2017 ◽

Vol 48 ◽

pp. 357-364 ◽

Cited By ~ 12

Author(s):

Liemao Cao ◽

Xiaobo Li ◽

Guang Liu ◽

Ziran Liu ◽

Guanghui Zhou

Keyword(s):

Charge Transport ◽

Transport Properties ◽

First Principles ◽

Molecular Junction ◽

First Principles Study

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First-Principles Study on Charge Transport Mechanism of Lithium Sulfide (Li2S) in Lithium-Sulfur Batteries

ECS Meeting Abstracts ◽

10.1149/ma2016-03/2/1211 ◽

2016 ◽

Keyword(s):

Charge Transport ◽

First Principles ◽

Transport Mechanism ◽

Charge Transport Mechanism ◽

First Principles Study ◽

Lithium Sulfide ◽

Lithium Sulfur Batteries ◽

Lithium Sulfur

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Spin-charge transport properties for graphene/graphyne zigzag-edged nanoribbon heterojunctions: A first-principles study

Carbon ◽

10.1016/j.carbon.2017.11.028 ◽

2018 ◽

Vol 127 ◽

pp. 519-526 ◽

Cited By ~ 25

Author(s):

Liemao Cao ◽

Xiaobo Li ◽

Chunxia Jia ◽

Guang Liu ◽

Ziran Liu ◽

...

Keyword(s):

Charge Transport ◽

Transport Properties ◽

First Principles ◽

First Principles Study

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First-principles study of nitrogen-doped nanographene as an efficient charge transport and nonlinear optical material

RSC Advances ◽

10.1039/c7ra02455j ◽

2017 ◽

Vol 7 (58) ◽

pp. 36632-36643 ◽

Cited By ~ 15

Author(s):

Shabbir Muhammad ◽

Aijaz Rasool Chaudhry ◽

Ahmad Irfan ◽

Abdullah G. Al-Sehemi

Keyword(s):

Charge Transport ◽

First Principles ◽

Nonlinear Optical ◽

Optical Material ◽

Nonlinear Optical Material ◽

Nitrogen Doped ◽

First Principles Study ◽

Efficient Charge ◽

Nitrogen Doped Graphene ◽

Doped Graphene

The prospective of nitrogen doped graphene (NDG) as useful nonlinear optical (NLO) and charge transport materials is explored using first principles methods.

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Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.05.017 ◽

2017 ◽

Vol 75 ◽

pp. 209-219 ◽

Cited By ~ 20

Author(s):

Ahmad Irfan ◽

Aijaz Rasool Chaudhry ◽

Shabbir Muhammad ◽

Abdullah G. Al-Sehemi

Keyword(s):

Charge Transport ◽

First Principles ◽

Nonlinear Optical ◽

Optical Material ◽

Nonlinear Optical Material ◽

First Principles Study ◽

Boron Doped ◽

Efficient Charge

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Charge transport and radiative recombination in polythiophene crystals: a first-principles study

Synthetic Metals ◽

10.1016/s0379-6779(03)00319-9 ◽

2003 ◽

Vol 139 (3) ◽

pp. 755-757 ◽

Cited By ~ 3

Author(s):

A. Ruini ◽

G. Bussi ◽

A. Ferretti ◽

M.J. Caldas ◽

E. Molinari

Keyword(s):

Charge Transport ◽

First Principles ◽

Radiative Recombination ◽

First Principles Study

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