DFT Study of Cyanide Oxidation on Ge-Doped Carbon Nanotubes

A DFT study on the effect of supporting titania on silica graphene epoxy graphene and carbon nanotubes - Interfacial properties and optical response

Computational Condensed Matter ◽

10.1016/j.cocom.2017.08.003 ◽

2017 ◽

Vol 13 ◽

pp. 6-15 ◽

Cited By ~ 1

Author(s):

Ephraim M. Kiarii ◽

Krishna K. Govender ◽

Patrick G. Ndung'u ◽

Penny P. Govender

Keyword(s):

Carbon Nanotubes ◽

Interfacial Properties ◽

Optical Response ◽

Dft Study ◽

Titania On Silica

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 ◽

Transition metals adsorption and conductivity modification in carbon nanotubes: analytical modeling and DFT study

Adsorption ◽

10.1007/s10450-018-9964-z ◽

2018 ◽

Vol 24 (6) ◽

pp. 575-583 ◽

Cited By ~ 4

Author(s):

Bahar Meshginqalam ◽

Sholeh Alaei

Keyword(s):

Carbon Nanotubes ◽

Transition Metals ◽

Analytical Modeling ◽

Dft Study ◽

Metals Adsorption

Dispersion and stability study of carbon nanotubes in pH and temperature responsive polymeric matrix: Experiment and dispersion-corrected DFT study

Materials Today Communications ◽

10.1016/j.mtcomm.2018.09.005 ◽

2018 ◽

Vol 17 ◽

pp. 187-193 ◽

Cited By ~ 2

Author(s):

Sandeep Pandey ◽

S.R.V. Siva Prasanna ◽

Manoj Karakoti ◽

Chetna Tewari ◽

Boddepalli SanthiBhushan ◽

...

Keyword(s):

Carbon Nanotubes ◽

Stability Study ◽

Polymeric Matrix ◽

Dft Study ◽

Temperature Responsive

DFT study of cyanide oxidation on surface of Ge-embedded carbon nanotube

Chemical Physics Letters ◽

10.1016/j.cplett.2018.01.056 ◽

2018 ◽

Vol 695 ◽

pp. 44-50 ◽

Cited By ~ 3

Author(s):

Wei Gao ◽

Seyyed Milad Abrishamifar ◽

Gholamreza Ebrahimzadeh Rajaei ◽

Razieh Razavi ◽

Meysam Najafi

Keyword(s):

Carbon Nanotube ◽

Dft Study ◽

Cyanide Oxidation

A mechanistic periodic DFT study of CH, CO, and OH dissociations in methanol: M-doped carbon nanotubes (M=Pt, B, Al, N, P) versus Pt(100), Pt(110) and Pt(111) surfaces

Molecular Catalysis ◽

10.1016/j.mcat.2021.111781 ◽

2021 ◽

Vol 512 ◽

pp. 111781

Author(s):

R. Behjatmanesh-Ardakani ◽

E.M. Bahalkeh ◽

V. Moeini

Keyword(s):

Carbon Nanotubes ◽

Dft Study ◽

Periodic Dft

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 ◽

Physical adsorption of hydrogen molecules on single-walled carbon nanotubes and carbon-boron-nitrogen heteronanotubes: A comparative DFT study

Vacuum ◽

10.1016/j.vacuum.2019.06.021 ◽

2019 ◽

Vol 167 ◽

pp. 280-286 ◽

Cited By ~ 7

Author(s):

I.K. Petrushenko ◽

K.B. Petrushenko

Keyword(s):

Carbon Nanotubes ◽

Physical Adsorption ◽

Dft Study ◽

Single Walled Carbon ◽

Hydrogen Molecules ◽

Adsorption Of Hydrogen ◽

Walled Carbon Nanotubes ◽

Boron Nitrogen