Functionalization effect on a Pt/carbon nanotube composite catalyst: a first-principles study

2016 ◽  
Vol 18 (32) ◽  
pp. 22687-22692 ◽  
Author(s):  
Byung-Hyun Kim ◽  
Kwang-Ryeol Lee ◽  
Yong-Chae Chung ◽  
Mina Park
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Functional Groups ◽  
First Principles ◽  
Atomic Oxygen ◽  
Composite Catalyst ◽  
Atomic Nitrogen ◽  
First Principles Calculations ◽  
Surface Functional Groups ◽  
Carbon Nanotube Composite

Chemical interactions between Pt and both pristine and defective carbon nanotubes (CNTs) that were functionalized with various surface functional groups, including atomic oxygen (–O), atomic nitrogen (–N), hydroxyl (–OH) and amine (–NH2) groups, were investigated through first-principles calculations.

Discriminative modulation of the highest occupied molecular orbital energies of graphene and carbon nanotubes induced by charging

2015 ◽  
Vol 17 (11) ◽  
pp. 7248-7254 ◽  
Author(s):  
Hongping Yang ◽  
Chi-yung Yam ◽  
Aihua Zhang ◽  
Zhiping Xu ◽  
Jun Luo ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Molecular Orbital ◽  
First Principles ◽  
Orbital Energy ◽  
First Principles Calculations ◽  
Orbital Energies ◽  
Molecular Orbital Energy ◽  
Highest Occupied Molecular Orbital

First-principles calculations show that the increase in the highest occupied molecular orbital energy of a charged carbon nanotube is different from graphene.

Mechanical Properties Of Polyaniline / Multi-walled Carbon Nanotube Composite Films

2003 ◽  
Vol 791 ◽  
Author(s):  
P. C. Ramamurthy ◽  
W. R. Harrell ◽  
R. V. Gregory ◽  
B. Sadanadan ◽  
A. M. Rao
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Composite Films ◽  
Weight Percent ◽  
Organic Electronic Devices ◽  
Multiwalled Carbon ◽  
Multi Walled Carbon Nanotube ◽  
Contact Devices ◽  
Carbon Nanotube Composite

ABSTRACTHigh molecular weight polyaniline / multi-walled carbon nanotube composite films were fabricated using solution processing. Composite films with various weight percentages of multiwalled carbon nanotubes were fabricated. Physical properties of these composites were analyzed by thermogravimetric analysis, tensile testing, and scanning electron microscopy. These results indicate that the addition of multiwalled nanotubes to polyaniline significantly enhances the mechanical properties of the films. In addition, metal–semiconductor (composite) (MS) contact devices were fabricated, and it was observed that the current level in the films increased with increasing multiwalled nanotube content. Furthermore, it was observed that polyaniline containing one weight percent of carbon nanotubes appears to be the most promising composition for applications in organic electronic devices.

O2 and H2O2 transformation steps for the oxygen reduction reaction catalyzed by graphitic nitrogen-doped carbon nanotubes in acidic electrolyte from first principles calculations

2015 ◽  
Vol 17 (34) ◽  
pp. 21950-21959 ◽  
Author(s):  
Yuhang Li ◽  
Guoyu Zhong ◽  
Hao Yu ◽  
Hongjuan Wang ◽  
Feng Peng
Keyword(s):  
Carbon Nanotubes ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Reduction Reaction ◽  
First Principles Calculations ◽  
Nitrogen Doped ◽  
Acidic Electrolyte ◽  
Nitrogen Doped Carbon ◽  
Mixed Mechanism

DFT calculations reveal a mixed mechanism for the oxygen reduction reaction catalyzed by nitrogen-doped carbon nanotubes in acidic electrolyte.

Electron Promotion by Surface Functional Groups of Single Wall Carbon Nanotubes to Overlying Metal Particles in a Fuel-Cell Catalyst

2012 ◽  
Vol 124 (28) ◽  
pp. 7104-7107 ◽  
Author(s):  
Patraporn Luksirikul ◽  
Karaked Tedsree ◽  
Mark G. Moloney ◽  
Malcolm L. H. Green ◽  
Shik Chi Edman Tsang
Keyword(s):  
Carbon Nanotubes ◽  
Fuel Cell ◽  
Functional Groups ◽  
Metal Particles ◽  
Single Wall Carbon Nanotubes ◽  
Surface Functional Groups ◽  
Single Wall Carbon ◽  
Fuel Cell Catalyst

Pebax-1657 mixed matrix membrane containing surface modified multi-walled carbon nanotubes for gas separation

RSC Advances ◽  
2016 ◽  
Vol 6 (83) ◽  
pp. 79563-79577 ◽  
Author(s):  
S. A. Habibiannejad ◽  
A. Aroujalian ◽  
A. Raisi
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Functional Groups ◽  
Gas Separation ◽  
Mixed Matrix Membrane ◽  
Mixed Matrix ◽  
Multi Walled Carbon Nanotubes ◽  
Surface Modified ◽  
Walled Carbon Nanotubes

In this study different functional groups on the surface of carbon nanotube enhanced the performance of Pebax 1657/MWNTs.

scholarly journals Dissociative adsorption of O2 on negatively charged nitrogen-doped single-walled carbon nanotubes: first-principles calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (87) ◽  
pp. 84155-84163 ◽  
Author(s):  
Divya Srivastava ◽  
Kari Laasonen
Keyword(s):  
Carbon Nanotubes ◽  
Dft Calculations ◽  
First Principles ◽  
Single Walled Carbon Nanotubes ◽  
Dissociative Adsorption ◽  
First Principles Calculations ◽  
Nitrogen Doped ◽  
Single Walled Carbon ◽  
Additional Charges ◽  
Walled Carbon Nanotubes

Spin unrestricted DFT calculations have been used to study the molecular and dissociative adsorption of O2 on achiral substitutional nitrogen-doped single-walled carbon nanotubes with and without additional charges.

Fabrication of Graphene/Carbon Nanotube Composite Modified Electrode for Selective and Sensitive Determination of Uric Acid

2013 ◽  
Vol 641-642 ◽  
pp. 562-565
Author(s):  
Zheng Xiao Liu ◽  
Jian Fei Xia ◽  
Zong Hua Wang ◽  
Yan Zhi Xia ◽  
Fei Fei Zhang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Uric Acid ◽  
Carbon Nanotube ◽  
Modified Electrode ◽  
Phosphate Buffer Solution ◽  
Carbon Electrode ◽  
Buffer Solution ◽  
Sensitive Determination ◽  
Carbon Nanotube Composite

A novel composite was firstly synthesized by compositing graphenes (G) and carbon nanotubes (CNTs) and then a new composite modified electrode (G/CNTs/GCE) was prepared by coating the resulting composite on the surface of the glassy carbon electrode (GCE). The composite modified electrode G/CNTs/GCE showed great electrochemical activities which were studied by sensitive determining the electrochemistry behaviors of uric acid (UA). It revealed when the concentration range of UA changed from 1×10-7 mol/L to 1×10-3 mol/L, the peak currents had linear relationship with the concentration of UA in the phosphate buffer solution (PBS) which the value of pH is 7.0. And the linear equation is ip (μA) = 21.55C+28.94 (C: mmol/L), with the related coefficient 0.9964.

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