First principles studies of the electronic properties and catalytic activity of single-walled carbon nanotube doped with Pt clusters and chains

2012 ◽  
Vol 393 (1) ◽  
pp. 96-106 ◽  
Author(s):  
Kayla E. Hayes ◽  
Hee-Seung Lee
Keyword(s):  
Catalytic Activity ◽  
Carbon Nanotube ◽  
Electronic Properties ◽  
First Principles ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

STRUCTURAL AND ELECTRONIC PROPERTIES OF ONE DIMENSIONAL KxC60 CRYSTAL ENCAPSULATED IN CARBON NANOTUBE

2007 ◽  
Vol 21 (10) ◽  
pp. 1705-1714 ◽  
Author(s):  
WEI SONG ◽  
JING LU ◽  
ZHENGXIANG GAO ◽  
MING NI ◽  
LUNHUI GUAN ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Fermi Level ◽  
Electronic Properties ◽  
Density Of States ◽  
First Principles ◽  
First Principles Calculations ◽  
Single Walled Carbon Nanotube ◽  
One Dimensional ◽  
Single Walled Carbon ◽  
Structural And Electronic Properties

The structural and electronic properties of potential one dimensional (1D) superconductor — K x C 60 chain encapsulated inside a single-walled carbon nanotube is studied using first principles calculations. The stoichiometry of K to C 60 of the 1D K x C 60 crystal can reach 9, in contrast to a maximal stoichiometry of 6 found in the K doped bulk fullerides. The K 4s electrons are completely ionized, and fill chiefly the C 60-derived bands in a nonrigid way. The density of states at the Fermi level of the encapsulated 1D K x C 60 crystal is comparable to that in K doped bulk fullerides.

Tenfold catalytic activity enhancement of Pt∕C by doping with single walled carbon nanotube for methanol oxidation

2007 ◽  
Vol 90 (6) ◽  
pp. 063112 ◽  
Author(s):  
Jayasri Narayanamoorthy ◽  
Sumitha Durairaj ◽  
Youngsik Song ◽  
Yuan Xu ◽  
Jaewu Choi
Keyword(s):  
Catalytic Activity ◽  
Carbon Nanotube ◽  
Methanol Oxidation ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Activity Enhancement

First Principles Studies on the Interaction of a Hydrogen Atom with a Single-Walled Carbon Nanotube

2003 ◽  
Vol 42 (Part 1, No. 7B) ◽  
pp. 4626-4629 ◽  
Author(s):  
Yoshio Miura ◽  
Hideaki Kasai ◽  
Wilson Agerico Diño ◽  
Hiroshi Nakanishi ◽  
Tsuyoshi Sugimoto
Keyword(s):  
Carbon Nanotube ◽  
Hydrogen Atom ◽  
First Principles ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

Effect of SOCl2 doping on electronic properties of single-walled carbon nanotube thin film transistors

2011 ◽  
Vol 248 (11) ◽  
pp. 2668-2671 ◽  
Author(s):  
D. H. Kim ◽  
J. K. Lee ◽  
J. H. Huh ◽  
Y. H. Kim ◽  
G. T. Kim ◽  
...  
Keyword(s):  
Thin Film ◽  
Carbon Nanotube ◽  
Electronic Properties ◽  
Thin Film Transistors ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

scholarly journals Single-walled carbon nanotube supported Pt-Ru bimetallic superb nanocatalyst for the hydrogen generation from the methanolysis of methylamine-borane at mild conditions

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Eda Gokirmak Sogut ◽  
Hilal Acidereli ◽  
Esra Kuyuldar ◽  
Yasar Karatas ◽  
Mehmet Gulcan ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Carbon Nanotube ◽  
Hydrogen Generation ◽  
Catalyst System ◽  
Metal Nanoparticle ◽  
High Catalytic Activity ◽  
Ambient Conditions ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Different Temperatures

Abstract Several metal nanoparticle based catalysts have been synthesized for catalyzing the hydrogen production process by hydrolysis of methylamine-borane (MeAB). However, there was only one study that catalyzes the producing of hydrogenvia the methanolysis of MeAB, and it was carried out by our research group. For this reason, in this work, a new catalyst system entitled by single-walled carbon nanotube (SWCNT) supported bimetallic platinum-ruthenium nanoparticles were developed and called as PtRu@SWCNT. These NPs were characterized by several techniques (XRD, XPS, Raman, and TEM), and they were performed for the methanolysis of MeAB with high catalytic activity. The prepared PtRu@SWCNT NPs were also tested in the methanolysis of MeAB at different parameters including different temperatures, catalyst and substrate concentrations, and reusability performance. Experimental results revealed that the new PtRu@SWCNT NPs had excellent catalytic activity and reusability for removing of hydrogen from the methanolysis of MeAB at ambient conditions. According to the obtained data, the turnover frequency is 136.25 mole H2/mole PtRu × min, and the activation energy (Ea) is 17.29 kJ/mole. More than 99% of conversion was observed at room temperature.

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.

Sign in / Sign up

Export Citation Format

Share Document