Ag-doping behavior on (8, 0) single-walled carbon nanotube with single C-vacancy or pyridine-like N3 defect: a DFT study

2019 ◽  
Vol 29 (6) ◽  
pp. 625-631
Author(s):  
Chao Yan ◽  
Qunfeng Zeng ◽  
Jianing Zhu
Keyword(s):  
Carbon Nanotube ◽  
Dft Study ◽  
Single Walled Carbon Nanotube ◽  
Ag Doping ◽  
Single Walled Carbon ◽  
Doping Behavior

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 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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