Electronic Properties of Graphite and Single Walled Carbon Nanotubes- A DFT Study

Dft Study ◽

Single Walled Carbon ◽

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 ◽

Donor And Acceptor ◽

Electron Donor And Acceptor ◽

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 ◽

Structural Defects ◽

Single Walled Carbon ◽

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 ◽

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 ◽

First Principles Calculations ◽

Single Walled Carbon ◽

Functionalized single-walled carbon nanotubes interacting with glycine amino acid: DFT study

Physica B Condensed Matter ◽

10.1016/j.physb.2011.09.006 ◽

2011 ◽

Vol 406 (23) ◽

pp. 4453-4459 ◽

Cited By ~ 16

Author(s):

M.D. Ganji ◽

A. Bakhshandeh

Keyword(s):

Carbon Nanotubes ◽

Amino Acid ◽

Dft Study ◽

Single Walled Carbon ◽

DFT study of arsine (AsH3) gas adsorption on pristine, Stone-Wales-defected, and Fe-doped single-walled carbon nanotubes

Structural Chemistry ◽

10.1007/s11224-018-1180-7 ◽

2018 ◽

Vol 30 (1) ◽

pp. 97-105 ◽

Cited By ~ 9

Author(s):

Javad Arasteh ◽

Mohamad Naseh

Keyword(s):

Carbon Nanotubes ◽

Gas Adsorption ◽

Dft Study ◽

Single Walled Carbon ◽

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 ◽

One Dimensional ◽

Single Walled Carbon ◽

Growth Structure ◽

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

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

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 ◽

Interaction investigation of single and multiple carbon monoxide molecules with Fe-, Ru-, and Os-doped single-walled carbon nanotubes by DFT study: applications to gas adsorption and detection nanomaterials

Journal of Molecular Modeling ◽

10.1007/s00894-020-04457-7 ◽

2020 ◽

Vol 26 (7) ◽

Author(s):

Chanukorn Tabtimsai ◽

Wandee Rakrai ◽

Suphawarat Phalinyot ◽

Banchob Wanno

Keyword(s):

Carbon Nanotubes ◽

Carbon Monoxide ◽

Gas Adsorption ◽

Dft Study ◽

Single Walled Carbon ◽

DFT Study of the Structural and Mechanical Properties of Oxydated Single-walled Carbon Nanotubes

Fullerenes Nanotubes and Carbon Nanostructures ◽

10.1080/1536383x.2012.684181 ◽

2014 ◽

Vol 22 (5) ◽

pp. 405-412 ◽

Cited By ~ 5

Author(s):

Igor K. Petrushenko ◽

Nikolay A. Ivanov

Keyword(s):

Mechanical Properties ◽

Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽