Dissociation of oxygen on pristine and nitrogen-doped carbon nanotubes: a spin-polarized density functional study

RSC Advances ◽  
2014 ◽  
Vol 4 (29) ◽  
pp. 15225-15235 ◽  
Author(s):  
Divya Srivastava ◽  
Toma Susi ◽  
Maryam Borghei ◽  
Laasonen Kari
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional ◽  
Oxygen Adsorption ◽  
Functional Study ◽  
Nitrogen Doped ◽  
Spin Polarized ◽  
Adsorption Energies ◽  
Different Diameters ◽  
Nitrogen Doped Carbon ◽  
Walled Carbon Nanotubes

The oxygen adsorption energies for pristine and N-doped single-walled carbon nanotubes of different diameters.

Trapping and sensing of hazardous insecticides by chemically modified single walled carbon nanotubes

2017 ◽  
Vol 19 (35) ◽  
pp. 24059-24066 ◽  
Author(s):  
Arkamita Bandyopadhyay ◽  
Dibyajyoti Ghosh ◽  
Swapan K. Pati
Keyword(s):  
Carbon Nanotubes ◽  
Transition Metal ◽  
Computational Study ◽  
Single Walled Carbon Nanotubes ◽  
Ambient Condition ◽  
Nitrogen Doped ◽  
Chemically Modified ◽  
Nitrogen Doped Carbon ◽  
Walled Carbon Nanotubes ◽  
Incorporated Nitrogen

Computational study demonstrates transition metal incorporated nitrogen doped carbon nanotubes can efficiently trap various harmful insecticides at ambient condition.

Nitrogen-doped carbon supports with terminated hydrogen and their effects on active gold species: a density functional study

2014 ◽  
Vol 16 (46) ◽  
pp. 25498-25507 ◽  
Author(s):  
Junjie Gu ◽  
Qian Du ◽  
You Han ◽  
Zhenghua He ◽  
Wei Li ◽  
...  
Keyword(s):  
Valence State ◽  
Density Functional ◽  
Functional Study ◽  
Carbon Supports ◽  
Acetylene Hydrochlorination ◽  
Density Functional Study ◽  
Nitrogen Doped ◽  
Doped Graphene ◽  
The Stability ◽  
Nitrogen Doped Carbon

The stabilities of gold species on N-doped graphene increase with its valence state. Au2Cl6 interacts preferentially with HCl on N-doped supports, enhancing the stability of Au catalysts for acetylene hydrochlorination.

Sign in / Sign up

Export Citation Format

Share Document