Water Molecule Adsorption in Carbon Nanotubes with Haeckelite Structure: First Principles Study

Advanced Science Engineering and Medicine ◽

10.1166/asem.2019.2382 ◽

2019 ◽

Vol 11 (6) ◽

pp. 549-553 ◽

Author(s):

Jamal A. Talla

Keyword(s):

Carbon Nanotubes ◽

Water Molecule ◽

First Principles ◽

First Principles Study ◽

Molecule Adsorption

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Structural and Electronic Properties of Different Terminations for Quartz (001) Surfaces as Well as Water Molecule Adsorption on It: A First-Principles Study

Minerals ◽

10.3390/min8020058 ◽

2018 ◽

Vol 8 (2) ◽

pp. 58 ◽

Author(s):

Xianchen Wang ◽

Qin Zhang ◽

Xianbo Li ◽

Junjian Ye ◽

Longjiang Li

Keyword(s):

Water Molecule ◽

Electronic Properties ◽

First Principles ◽

First Principles Study ◽

Molecule Adsorption ◽

Structural And Electronic Properties

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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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Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2016.02.230 ◽

2016 ◽

Vol 371 ◽

pp. 180-188 ◽

Author(s):

Dongwei Ma ◽

Weiwei Ju ◽

Tingxian Li ◽

Gui Yang ◽

Chaozheng He ◽

...

Keyword(s):

First Principles ◽

Monolayer Mos2 ◽

First Principles Study ◽

Molecule Adsorption ◽

Formaldehyde Molecule

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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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A first-principles study of gas molecule adsorption on hydrogen-substituted graphdiyne

Physics Letters A ◽

10.1016/j.physleta.2020.126332 ◽

2020 ◽

Vol 384 (16) ◽

pp. 126332

Author(s):

Mingxia Song ◽

Yuhong Chen ◽

Xiaocong Liu ◽

Wenhui Xu ◽

Yingjie Zhao ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

Molecule Adsorption ◽

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First-Principles Study of EMIM-FAFSA Molecule Adsorption on a Li(100) Surface as a Model for Li-Ion Battery Electrodes

The Journal of Physical Chemistry C ◽

10.1021/jp2109797 ◽

2012 ◽

Vol 116 (15) ◽

pp. 8493-8509 ◽

Author(s):

Hubert Valencia ◽

Masanori Kohyama ◽

Shingo Tanaka ◽

Hajime Matsumoto

Keyword(s):

First Principles ◽

Li Ion Battery ◽

First Principles Study ◽

Molecule Adsorption ◽

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