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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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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Influence of High Atomic Hydrogenation on the Electronic Structure of Zigzag Carbon Nanotubes: A First-Principles Study

Chinese Physics Letters ◽

10.1088/0256-307x/27/7/077304 ◽

2010 ◽

Vol 27 (7) ◽

pp. 077304 ◽

Author(s):

Pan Li-Jun ◽

Chen Wei-Guang ◽

Zhang Rui-Qin ◽

Hu Xing ◽

Jia Yu

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

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Conformation and electronic structure of DNA in carbon nanotubes: a molecular dynamics and first‐principles study

Micro & Nano Letters ◽

10.1049/mnl.2017.0030 ◽

2017 ◽

Vol 12 (7) ◽

pp. 490-493

Author(s):

Zha Goujun ◽

Zhang Fayun

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

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First-principles study of electronic structure of double-walled and single-walled carbon nanotubes

Ceramics International ◽

10.1016/j.ceramint.2020.09.115 ◽

2021 ◽

Vol 47 (2) ◽

pp. 2665-2671

Author(s):

Chenglong Qin ◽

Zean Tian ◽

Xiangyan Luo ◽

Quan Xie ◽

Tao Nie ◽

...

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

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First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

Computational Materials Science ◽

10.1016/j.commatsci.2011.10.042 ◽

2012 ◽

Vol 54 ◽

pp. 287-292 ◽

Author(s):

Xiao-Jun Chen ◽

Meng-Xue Zeng ◽

Ren-Nian Wang ◽

Zhou-Sheng Mo ◽

Bi-Yu Tang ◽

...

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of electronic structure, sodium diffusion, and (de)intercalation in NASICON NaMR(MoO4)3 (M = Mg, Ni; R = Cr, Fe)

Ionics ◽

10.1007/s11581-021-04133-7 ◽

2021 ◽

Author(s):

Alexander Serdtsev ◽

Irina Kotova ◽

Nadezhda Medvedeva

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study ◽

Sodium Diffusion

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First principles study on electronic structure and elastic properties of LaCd and LaHg

10.1063/1.4872850 ◽

2014 ◽

Author(s):

Hansa Devi ◽

Gitanjali Pagare ◽

S. S. Chouhan ◽

Sankar P. Sanyal

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of the thermodynamic properties and electronic structure of compounds from Hf–Ni phase system

Computational Materials Science ◽

10.1016/j.commatsci.2010.04.019 ◽

2010 ◽

Vol 49 (1) ◽

pp. 55-59 ◽

Author(s):

Jana Radaković ◽

Katarina Ćirić ◽

Jelena Belošević-Čavor ◽

Vasil Koteski

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

Phase System ◽

First Principles Study

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First-principles study of the electronic structure of NaTaO3

Solid State Communications ◽

10.1016/s0038-1098(01)00353-2 ◽

2001 ◽

Vol 120 (4) ◽

pp. 137-140 ◽

Author(s):

Y.X. Wang ◽

W.L. Zhong ◽

C.L. Wang ◽

P.L. Zhang

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study

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