Theoretical study of the structures and electronic properties of all-surface KI and CsI nanocrystals encapsulated in single walled carbon nanotubes

Elena Bichoutskaia; Nicholas C. Pyper

doi:10.1063/1.2987703

Theoretical study of the structures and electronic properties of all-surface KI and CsI nanocrystals encapsulated in single walled carbon nanotubes

The Journal of Chemical Physics ◽

10.1063/1.2987703 ◽

2008 ◽

Vol 129 (15) ◽

pp. 154701 ◽

Cited By ~ 10

Author(s):

Elena Bichoutskaia ◽

Nicholas C. Pyper

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Theoretical Study ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Theoretical study of the electronic properties of narrow single-walled carbon nanotubes: Beyond the local density approximation

The Journal of Chemical Physics ◽

10.1063/1.1810132 ◽

2004 ◽

Vol 121 (21) ◽

pp. 10376-10379 ◽

Cited By ~ 48

Author(s):

Verónica Barone ◽

Gustavo E. Scuseria

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Local Density Approximation ◽

Theoretical Study ◽

Local Density ◽

Single Walled Carbon Nanotubes ◽

Density Approximation ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Tuning the electronic properties of single-walled carbon nanotubes by filling with electron donor and acceptor compounds

10.3390/iocn2020-07946 ◽

2020 ◽

Author(s):

Marianna Kharlamova ◽

Christian Kramberger ◽

Dominik Eder

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Electron Donor ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Donor And Acceptor ◽

Electron Donor And Acceptor ◽

Walled Carbon Nanotubes

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Structural defects on (5,5) single-walled carbon nanotubes: Impact on their electronic properties and chemical reactivity from a DFT perspective

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2021.114874 ◽

2021 ◽

pp. 114874

Author(s):

E. García-Hernández ◽

E. Chigo-Anota

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Chemical Reactivity ◽

Single Walled Carbon Nanotubes ◽

Structural Defects ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone–Wales defect

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.08.024 ◽

2012 ◽

Vol 999 ◽

pp. 121-125 ◽

Cited By ~ 11

Author(s):

Ai-Dong Zhang ◽

Dong-Lai Wang ◽

Dong-Yan Hou

Keyword(s):

Carbon Nanotubes ◽

Theoretical Study ◽

Single Walled Carbon Nanotubes ◽

Hydrogen Atoms ◽

Single Walled Carbon ◽

Wales Defect ◽

Walled Carbon Nanotubes

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Electronic properties of single-walled carbon nanotubes filled with manganese halogenides

Applied Physics A ◽

10.1007/s00339-016-0335-x ◽

2016 ◽

Vol 122 (9) ◽

Cited By ~ 4

Author(s):

M. V. Kharlamova

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Side-Wall Opening of Single-Walled Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study

Angewandte Chemie ◽

10.1002/ange.200353087 ◽

2004 ◽

Vol 116 (12) ◽

pp. 1578-1580 ◽

Cited By ~ 18

Author(s):

Zhongfang Chen ◽

Shigeru Nagase ◽

Andreas Hirsch ◽

Robert C Haddon ◽

Walter Thiel ◽

...

Keyword(s):

Carbon Nanotubes ◽

Chemical Modification ◽

Theoretical Study ◽

Side Wall ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Effects of doping nitrogen atoms on the structure and electronic properties of zigzag single-walled carbon nanotubes through first-principles calculations

Nanotechnology ◽

10.1088/0957-4484/18/16/165702 ◽

2007 ◽

Vol 18 (16) ◽

pp. 165702 ◽

Cited By ~ 57

Author(s):

S S Yu ◽

Q B Wen ◽

W T Zheng ◽

Q Jiang

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

First Principles Calculations ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Functionalization of Single-Walled Carbon Nanotubes with Metalloporphyrin Complexes: A Theoretical Study

The Journal of Physical Chemistry C ◽

10.1021/jp712140p ◽

2008 ◽

Vol 112 (30) ◽

pp. 11130-11134 ◽

Cited By ~ 20

Author(s):

Jing-xiang Zhao ◽

Yi-hong Ding

Keyword(s):

Carbon Nanotubes ◽

Theoretical Study ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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One-Dimensional Crystals inside Single-Walled Carbon Nanotubes: Growth, Structure and Electronic Properties

Electronic Properties of Carbon Nanotubes ◽

10.5772/19060 ◽

2011 ◽

Cited By ~ 3

Author(s):

Andrei Eliseev ◽

Lada Yashina ◽

Marianna Kharlamova ◽

Nikolay Kiselev

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Single Walled Carbon Nanotubes ◽

One Dimensional ◽

Single Walled Carbon ◽

Growth Structure ◽

Walled Carbon Nanotubes

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Electronic Properties and Reactivities of Perfect, Defected, and Doped Single-Walled Carbon Nanotubes

Challenges and Advances in Computational Chemistry and Physics - Trends in Computational Nanomechanics ◽

10.1007/978-1-4020-9785-0_16 ◽

2009 ◽

pp. 421-471

Author(s):

Wei Quan Tian ◽

Lei Vincent Liu ◽

Ya Kun Chen ◽

Yan Alexander Wang

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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