Systematic First-Principles Electronic-Structure Study of Carbon Nanotubes

Dynamical core-hole screening in the x-ray absorption spectra of graphite,C60, and carbon nanotubes: A first-principles electronic structure study

Physical Review B ◽

10.1103/physrevb.73.075402 ◽

2006 ◽

Vol 73 (7) ◽

Cited By ~ 26

Author(s):

O. Wessely ◽

O. Eriksson ◽

M. I. Katsnelson

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

Absorption Spectra ◽

First Principles ◽

Structure Study ◽

Core Hole ◽

Dynamical Core ◽

X Ray ◽

X Ray Absorption

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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 ◽

Cited By ~ 6

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 Electronic Structure Study of the Monoclinic Crystal Bismuth Triborate BiB3O6

The Journal of Physical Chemistry B ◽

10.1021/jp0634151 ◽

2006 ◽

Vol 110 (39) ◽

pp. 19254-19263 ◽

Cited By ~ 36

Author(s):

Jun Yang ◽

Michael Dolg

Keyword(s):

Electronic Structure ◽

First Principles ◽

Structure Study ◽

Monoclinic Crystal

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First-principles electronic structure study of Sc-II

Physical Review B ◽

10.1103/physrevb.74.104119 ◽

2006 ◽

Vol 74 (10) ◽

Cited By ~ 18

Author(s):

A. Ormeci ◽

K. Koepernik ◽

H. Rosner

Keyword(s):

Electronic Structure ◽

First Principles ◽

Structure Study

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Electronic structure of short and long carbon nanotubes from first principles

Physical Review B ◽

10.1103/physrevb.59.9862 ◽

1999 ◽

Vol 59 (15) ◽

pp. 9862-9865 ◽

Cited By ~ 44

Author(s):

R. A. Jishi ◽

J. Bragin ◽

L. Lou

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles

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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 ◽

Cited By ~ 12

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 ◽

Boron Nitrogen

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First-Principles Electronic-Structure Study for Organic Ferroelectric Tetrathiafulvalene– p-Bromanil

Journal of the Physical Society of Japan ◽

10.1143/jpsj.79.043703 ◽

2010 ◽

Vol 79 (4) ◽

pp. 043703 ◽

Cited By ~ 13

Author(s):

Shoji Ishibashi ◽

Kiyoyuki Terakura ◽

Sachio Horiuchi

Keyword(s):

Electronic Structure ◽

First Principles ◽

Structure Study

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Strain Tuning of Tin–Halide and Lead–Halide Perovskites: A First-Principles Atomic and Electronic Structure Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b07446 ◽

2015 ◽

Vol 119 (40) ◽

pp. 22832-22837 ◽

Cited By ~ 77

Author(s):

Christopher Grote ◽

Robert F. Berger

Keyword(s):

Electronic Structure ◽

First Principles ◽

Structure Study ◽

Halide Perovskites ◽

Lead Halide ◽

Atomic And Electronic Structure

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The effect of humidity on the adsorption of the hydrazine on single-wall carbon nanotubes: First-principles electronic structure calculations

Chemical Physics Letters ◽

10.1016/j.cplett.2011.10.062 ◽

2011 ◽

Vol 518 ◽

pp. 93-98 ◽

Cited By ~ 10

Author(s):

M. Yu ◽

W.Q. Tian ◽

C.S. Jayanthi ◽

S.Y. Wu

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

Electronic Structure Calculations ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon ◽

Structure Calculations

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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 ◽

Cited By ~ 2

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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