First principles study of a heavily nitrogen-doped (10,0) carbon nanotube

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2018.06.003 ◽

2018 ◽

Vol 103 ◽

pp. 201-207 ◽

Cited By ~ 1

Author(s):

Mohsen Jamshidi ◽

Mostafa Razmara ◽

Banafsheh Nikfar ◽

Masoud Amiri

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study

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First-principles study on the electronic and transport properties of periodically nitrogen-doped graphene and carbon nanotube superlattices

Frontiers of Physics ◽

10.1007/s11467-017-0650-5 ◽

2017 ◽

Vol 12 (4) ◽

Cited By ~ 5

Author(s):

Fuming Xu ◽

Zhizhou Yu ◽

Zhirui Gong ◽

Hao Jin

Keyword(s):

Carbon Nanotube ◽

Transport Properties ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene

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First-principles study of the switching characteristics of the phenoxynaphthacenequinone-based optical molecular switch with carbon nanotube electrodes

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2008.09.008 ◽

2009 ◽

Vol 41 (3) ◽

pp. 474-478 ◽

Cited By ~ 10

Author(s):

P. Zhao ◽

C.F. Fang ◽

Y.M. Wang ◽

Y.X. Zhai ◽

D.S. Liu

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Molecular Switch ◽

First Principles Study ◽

Switching Characteristics

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First-principles study of the magnetic properties of nitrogen-doped alkaline earth metal oxides

Physica B Condensed Matter ◽

10.1016/j.physb.2011.08.044 ◽

2012 ◽

Vol 407 (15) ◽

pp. 2875-2878 ◽

Cited By ~ 17

Author(s):

Masayoshi Seike ◽

Van An Dinh ◽

Kazunori Sato ◽

Hiroshi Katayama Yoshida

Keyword(s):

Magnetic Properties ◽

Metal Oxides ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Nitrogen Doped ◽

First Principles Study ◽

Alkaline Earth Metal Oxides

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First-Principles Study of Li-Intercalated Carbon Nanotube Ropes

Physical Review Letters ◽

10.1103/physrevlett.85.1706 ◽

2000 ◽

Vol 85 (8) ◽

pp. 1706-1709 ◽

Cited By ~ 246

Author(s):

Jijun Zhao ◽

Alper Buldum ◽

Jie Han ◽

Jian Ping Lu

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

First Principles Study

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Why Do Boron and Nitrogen Doped α- and γ-Graphyne Exhibit Different Oxygen Reduction Mechanism? A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b02505 ◽

2015 ◽

Vol 119 (21) ◽

pp. 11493-11498 ◽

Cited By ~ 47

Author(s):

Xin Chen ◽

Qingan Qiao ◽

Li An ◽

Dingguo Xia

Keyword(s):

Oxygen Reduction ◽

First Principles ◽

Reduction Mechanism ◽

Nitrogen Doped ◽

First Principles Study ◽

Oxygen Reduction Mechanism

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Improving hydrogen evolution reaction performance by combining ditungsten carbide and nitrogen-doped graphene: A first-principles study

Carbon ◽

10.1016/j.carbon.2020.10.003 ◽

2021 ◽

Vol 172 ◽

pp. 122-131

Author(s):

Bo Zhang ◽

Xiuli Fu ◽

Li Song ◽

Xiaojun Wu

Keyword(s):

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

Reaction Performance

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First-Principles Study of Carbon Nanotube Solid-State Packings

EPL (Europhysics Letters) ◽

10.1209/0295-5075/29/1/008 ◽

1995 ◽

Vol 29 (1) ◽

pp. 43-48 ◽

Cited By ~ 75

Author(s):

J.-C Charlier ◽

X Gonze ◽

J.-P Michenaud

Keyword(s):

Carbon Nanotube ◽

Solid State ◽

First Principles ◽

First Principles Study

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Energetics and electronic structure of a single copper atomic chain wrapped in a carbon nanotube: a first-principles study

Chinese Physics B ◽

10.1088/1674-1056/18/12/056 ◽

2009 ◽

Vol 18 (12) ◽

pp. 5468-5473 ◽

Cited By ~ 3

Author(s):

Zhang Jian-Min ◽

Du Xiu-Juan ◽

Wang Su-Fang ◽

Xu Ke-Wei

Keyword(s):

Electronic Structure ◽

Carbon Nanotube ◽

First Principles ◽

Atomic Chain ◽

First Principles Study

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Carbon nanobuds based on carbon nanotube caps: a first-principles study

Nanoscale ◽

10.1039/c5nr07188g ◽

2016 ◽

Vol 8 (4) ◽

pp. 2343-2349 ◽

Cited By ~ 8

Author(s):

Ji Il Choi ◽

Hyo Seok Kim ◽

Han Seul Kim ◽

Ga In Lee ◽

Jeung Ku Kang ◽

...

Keyword(s):

Carbon Nanotube ◽

Fermi Level ◽

First Principles ◽

First Principles Study

The formation of fullerene carbon nanobuds (CNBs) on carbon nanotube (CNT) caps is energetically more favorable than that on CNT sidewalls. Generally, CNBs based on CNT ends can induce resonant transmissions near the Fermi level.

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Application of single-walled carbon nanotube body to unique emitter: a first-principles study

Chemical Physics Letters ◽

10.1016/s0009-2614(01)01324-0 ◽

2001 ◽

Vol 350 (5-6) ◽

pp. 386-392 ◽

Cited By ~ 11

Author(s):

Gang Zhou ◽

Yoshiyuki Kawazoe

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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