First-principles study of metallic carbon nanotubes with boron/nitrogen co-doping

Chinese Physics B ◽

10.1088/1674-1056/20/1/017103 ◽

2011 ◽

Vol 20 (1) ◽

pp. 017103 ◽

Author(s):

Ling-Na Chen ◽

Song-Shan Ma ◽

Fang-Ping OuYang ◽

Jin Xiao ◽

Hui Xu

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Co Doping ◽

First Principles Study ◽

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First principles study on the boron–nitrogen domains segregated within (5,5) and (8,0) single-wall carbon nanotubes: Formation energy, electronic structure and reactivity

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.07.004 ◽

2012 ◽

Vol 996 ◽

pp. 11-20 ◽

Author(s):

Nabanita Saikia ◽

Ramesh C. Deka

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

Formation Energy ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

First Principles Study ◽

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First principles study on B/N pairs co-doping zigzag single-walled carbon nanotubes

Chemical Physics Letters ◽

10.1016/j.cplett.2016.04.081 ◽

2016 ◽

Vol 653 ◽

pp. 144-148 ◽

Author(s):

Xinhua Yao ◽

Kejing Li ◽

Jinqian Ye ◽

Qing Yi Shao

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Co Doping ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Co-doping as a tool for tuning the optical properties of singlewalled carbon nanotubes: A first principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2017.03.027 ◽

2017 ◽

Vol 91 ◽

pp. 93-100 ◽

Author(s):

Deepa Sharma ◽

Neena Jaggi

Keyword(s):

Carbon Nanotubes ◽

Optical Properties ◽

First Principles ◽

Co Doping ◽

First Principles Study

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First-principles study of electronic structure of deformed carbon nanotubes

Science and Technology of Advanced Materials ◽

10.1016/j.stam.2006.12.008 ◽

2007 ◽

Vol 8 (3) ◽

pp. 200-203 ◽

Author(s):

Kazuchika Iwami ◽

Hidekazu Goto ◽

Kikuji Hirose ◽

Tomoya Ono

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

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Band-gap formation in(n,0)single-walled carbon nanotubes(n=9,12,15,18): A first-principles study

Physical Review B ◽

10.1103/physrevb.72.073404 ◽

2005 ◽

Vol 72 (7) ◽

Author(s):

Takashi Miyake ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Gap Formation ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Silicon adsorption in defective carbon nanotubes: a first principles study

Nanotechnology ◽

10.1088/0957-4484/17/16/016 ◽

2006 ◽

Vol 17 (16) ◽

pp. 4088-4091 ◽

Author(s):

L B da Silva ◽

Solange B Fagan ◽

R Mota ◽

A Fazzio

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

First Principles Study

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Dopamine sensing by boron and nitrogen co-doped single-walled carbon nanotubes: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2018.12.137 ◽

2019 ◽

Vol 473 ◽

pp. 59-64 ◽

Author(s):

Chen-Hao Yeh ◽

Yung-Jou Hsiao ◽

Jyh-Chiang Jiang

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes ◽

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First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption

The European Physical Journal B ◽

10.1140/epjb/e2009-00179-2 ◽

2009 ◽

Vol 69 (3) ◽

pp. 375-382 ◽

Author(s):

Z. Li ◽

C.-Y. Wang ◽

S.-H. Ke ◽

W. Yang

Keyword(s):

Carbon Nanotubes ◽

Transport Properties ◽

First Principles ◽

Oxygen Adsorption ◽

First Principles Study

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First-principles study of Au-decorated carbon nanotubes

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2018.04.020 ◽

2018 ◽

Vol 101 ◽

pp. 273-277 ◽

Author(s):

Weiwei Ju ◽

Tongwei Li ◽

Qingxiao Zhou ◽

Haisheng Li ◽

Xiaohong Li

Keyword(s):

Carbon Nanotubes ◽

First Principles ◽

First Principles Study

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Enhancing photocatalytic activity in monolayer MoS2 by charge compensated co-doping with P and Cl: First principles study

Molecular Catalysis ◽

10.1016/j.mcat.2019.02.002 ◽

2019 ◽

Vol 468 ◽

pp. 94-99 ◽

Author(s):

Yafei Zhao ◽

Yizhe Sun ◽

Xiaoying Hu ◽

Jian Tu ◽

Qinwu Gao ◽

...

Keyword(s):

Photocatalytic Activity ◽

First Principles ◽

Monolayer Mos2 ◽

Co Doping ◽

First Principles Study

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