Preferential Adsorption of TiO2 Nanostructures on Functionalized Single-Walled Carbon Nanotubes: A DFT Study

Serge Ayissi; Paul A. Charpentier; Krisztián Palotás; Nasrin Farhangi; Felix Schwarz; Werner A. Hofer

doi:10.1021/acs.jpcc.5b01406

Preferential Adsorption of TiO2 Nanostructures on Functionalized Single-Walled Carbon Nanotubes: A DFT Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b01406 ◽

2015 ◽

Vol 119 (27) ◽

pp. 15085-15093 ◽

Cited By ~ 13

Author(s):

Serge Ayissi ◽

Paul A. Charpentier ◽

Krisztián Palotás ◽

Nasrin Farhangi ◽

Felix Schwarz ◽

...

Keyword(s):

Carbon Nanotubes ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Preferential Adsorption ◽

Walled Carbon Nanotubes ◽

Tio2 Nanostructures

Download Full-text

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 ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

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 ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

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 ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

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 ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

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 ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Hydrogen Molecules ◽

Adsorption Of Hydrogen ◽

Walled Carbon Nanotubes ◽

Boron Nitrogen

Download Full-text

Adsorption of ibuprofen on silicon decorated fullerenes and single walled carbon nanotubes: A comparative DFT study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.02.023 ◽

2019 ◽

Vol 1184 ◽

pp. 110-113 ◽

Cited By ~ 8

Author(s):

Cemal Parlak ◽

Özgür Alver

Keyword(s):

Carbon Nanotubes ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

Functionalization of carbon ad-dimer defective single-walled carbon nanotubes through 1,3-dipolar cycloaddition: a DFT study

Structural Chemistry ◽

10.1007/s11224-014-0507-2 ◽

2014 ◽

Vol 26 (2) ◽

pp. 507-515 ◽

Cited By ~ 16

Author(s):

Reza Ghafouri ◽

Fatemeh Ektefa

Keyword(s):

Carbon Nanotubes ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Dipolar Cycloaddition ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

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

The Internet Journal of Nanotechnology ◽

10.5580/3e4 ◽

2010 ◽

Vol 3 (2) ◽

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Single Walled Carbon Nanotubes ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

Ionization potentials and structural properties of finite-length single-walled carbon nanotubes: DFT study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2013.07.004 ◽

2013 ◽

Vol 54 ◽

pp. 262-266 ◽

Cited By ~ 29

Author(s):

Igor K. Petrushenko ◽

Nikolay A. Ivanov

Keyword(s):

Carbon Nanotubes ◽

Structural Properties ◽

Finite Length ◽

Single Walled Carbon Nanotubes ◽

Ionization Potentials ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text

DFT study of oxygen adsorption on vacancy and Stone–Wales defected single-walled carbon nanotubes with Cr-doped

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2014.07.005 ◽

2015 ◽

Vol 65 ◽

pp. 77-83 ◽

Cited By ~ 13

Author(s):

Qingxiao Zhou ◽

Xi Yang ◽

Zhibing Fu ◽

Chaoyang Wang ◽

Lei Yuan ◽

...

Keyword(s):

Carbon Nanotubes ◽

Single Walled Carbon Nanotubes ◽

Oxygen Adsorption ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

Download Full-text