Adsorption of 2, 3, 7, 8-tetrachlorodibenzo-p-dioxin (TCDD) on pristine, defected and Al-doped carbon nanotube: A dispersion corrected DFT study

Vacuum ◽  
2017 ◽  
Vol 136 ◽  
pp. 51-59 ◽  
Author(s):  
Z. Izakmehri ◽  
M. Darvish Ganji ◽  
M. Ardjmand
Keyword(s):  
Carbon Nanotube ◽  
Dft Study ◽  
Tetrachlorodibenzo P Dioxin

DFT study of NH3(H2O)n=0,1,2,3 complex adsorption on the (8,0) single-walled carbon nanotube

2010 ◽  
Vol 48 (3) ◽  
pp. 655-657 ◽  
Author(s):  
Bahram B. Shirvani ◽  
Javad Beheshtian ◽  
Gholamabbas Parsafar ◽  
Nasser L. Hadipour
Keyword(s):  
Carbon Nanotube ◽  
Dft Study ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Complex Adsorption

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

2018 ◽  
Vol 695 ◽  
pp. 44-50 ◽  
Author(s):  
Wei Gao ◽  
Seyyed Milad Abrishamifar ◽  
Gholamreza Ebrahimzadeh Rajaei ◽  
Razieh Razavi ◽  
Meysam Najafi
Keyword(s):  
Carbon Nanotube ◽  
Dft Study ◽  
Cyanide Oxidation

scholarly journals Effect of Fe/N-doped carbon nanotube (CNT) wall thickness on CO2 conversion: A DFT study

2020 ◽  
Vol 26 ◽  
pp. e00224
Author(s):  
Sun Hee Yoon ◽  
Hyunwoong Park ◽  
Nimir O. Elbashir ◽  
Dong Suk Han
Keyword(s):  
Carbon Nanotube ◽  
Wall Thickness ◽  
Dft Study ◽  
Co2 Conversion

DFT study on adsorption of formaldehyde on pure, Pd-doped, Si-doped single-walled carbon nanotube

2020 ◽  
Vol 525 ◽  
pp. 146595
Author(s):  
Xi Zhou ◽  
Cuihua Zhao ◽  
Cuiting Chen ◽  
Jianhua Chen ◽  
Yuqiong Li
Keyword(s):  
Carbon Nanotube ◽  
Dft Study ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Si Doped

Pd-doped single-walled carbon nanotube as a nanobiosensor for histidine amino acid, a DFT study

RSC Advances ◽  
2015 ◽  
Vol 5 (39) ◽  
pp. 31172-31178 ◽  
Author(s):  
Mehdi Yoosefian ◽  
Nazanin Etminan
Keyword(s):  
Carbon Nanotube ◽  
Amino Acid ◽  
Dft Calculations ◽  
Dft Study ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Amino Acid Detection

Using DFT calculations, we investigate Pd-doped single walled carbon nanotube (Pd/SWCNT) as a bionanosensor platform for histidine amino acid detection.

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