Optical response of carbon nanotubes functionalized with (free-base, Zn) porphyrins, and phthalocyanines: A DFT study

J. D. Correa; W. Orellana

doi:10.1103/physrevb.86.125417

Optical response of carbon nanotubes functionalized with (free-base, Zn) porphyrins, and phthalocyanines: A DFT study

Physical Review B ◽

10.1103/physrevb.86.125417 ◽

2012 ◽

Vol 86 (12) ◽

Cited By ~ 21

Author(s):

J. D. Correa ◽

W. Orellana

Keyword(s):

Carbon Nanotubes ◽

Optical Response ◽

Dft Study ◽

Free Base

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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

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Adsorption of free-base phthalocyanine on Stone-Wales defect-containing carbon nanotubes: A DFT study

Diamond and Related Materials ◽

10.1016/j.diamond.2019.107443 ◽

2019 ◽

Vol 97 ◽

pp. 107443 ◽

Cited By ~ 4

Author(s):

Vladimir A. Basiuk ◽

Eduardo Chávez-Colorado

Keyword(s):

Carbon Nanotubes ◽

Dft Study ◽

Free Base ◽

Wales Defect

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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

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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

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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

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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

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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

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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

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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

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Theoretical study of third-order nonlinear optical response of semiconductor carbon nanotubes

Physica B Condensed Matter ◽

10.1016/s0921-4526(97)00676-5 ◽

1998 ◽

Vol 245 (2) ◽

pp. 173-189 ◽

Cited By ~ 98

Author(s):

Vl.A. Margulis ◽

T.A. Sizikova

Keyword(s):

Carbon Nanotubes ◽

Nonlinear Optical ◽

Theoretical Study ◽

Optical Response ◽

Nonlinear Optical Response ◽

Third Order ◽

Semiconductor Carbon Nanotubes

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