The tunable effect of nitrogen and boron dopants on a single walled carbon nanotube support on the catalytic properties of a single gold atom catalyst: a first principles study of CO oxidation

2017 ◽  
Vol 5 (32) ◽  
pp. 16653-16662 ◽  
Author(s):  
Sajjad Ali ◽  
Tianfu Liu ◽  
Zan Lian ◽  
Bo Li ◽  
Dang Sheng Su
Keyword(s):  
Carbon Nanotube ◽  
Co Oxidation ◽  
First Principles ◽  
Catalytic Properties ◽  
Gold Atom ◽  
Catalytic Performance ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
First Principles Study ◽  
Practical Strategy

Doping of supports is a practical strategy to tune the catalytic performance of a single Au atom in CO oxidation.

First-Principles Study of Water Chains Encapsulated in Single-Walled Carbon Nanotube

2009 ◽  
Vol 113 (14) ◽  
pp. 5368-5375 ◽  
Author(s):  
Lu Wang ◽  
Jijun Zhao ◽  
Fengyu Li ◽  
Haiping Fang ◽  
Jian Ping Lu
Keyword(s):  
Carbon Nanotube ◽  
First Principles ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
First Principles Study

Theoretical investigation on carbon nucleation on nickel carbides at initial stages of single-walled carbon nanotube formation

2014 ◽  
Vol 16 (36) ◽  
pp. 19654-19660 ◽  
Author(s):  
Zhimin Yang ◽  
Qiang Wang ◽  
Xiaoye Shan ◽  
Shuo-Wang Yang ◽  
Hongjun Zhu
Keyword(s):  
Carbon Nanotube ◽  
Theoretical Investigation ◽  
First Principles ◽  
Metal Carbide ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
First Principles Study ◽  
Initial Stage

A first-principles study shows that metal carbide clusters do exist during the initial stage of single-walled carbon nanotube nucleation.

Sign in / Sign up

Export Citation Format

Share Document