Raman Spectroscopy Study and First-Principles Calculations of the Interaction between Nucleic Acid Bases and Carbon Nanotubes

2009 ◽  
Vol 113 (15) ◽  
pp. 3621-3629 ◽  
Author(s):  
Stepan G. Stepanian ◽  
Maksym V. Karachevtsev ◽  
Alexander Yu. Glamazda ◽  
Victor A. Karachevtsev ◽  
L. Adamowicz
Keyword(s):  
Carbon Nanotubes ◽  
Raman Spectroscopy ◽  
Nucleic Acid ◽  
First Principles ◽  
First Principles Calculations ◽  
Spectroscopy Study ◽  
Nucleic Acid Bases

scholarly journals First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes

2008 ◽  
Vol 19 (12) ◽  
pp. 125701 ◽  
Author(s):  
S Gowtham ◽  
Ralph H Scheicher ◽  
Ravindra Pandey ◽  
Shashi P Karna ◽  
Rajeev Ahuja
Keyword(s):  
Carbon Nanotubes ◽  
Nucleic Acid ◽  
First Principles ◽  
Small Diameter ◽  
Nucleic Acid Bases ◽  
First Principles Study

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.

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.

Soft modes and anharmonicity inH3[Co(CN)6]: Raman spectroscopy and first-principles calculations

2015 ◽  
Vol 92 (13) ◽  
Author(s):  
K. K. Mishra ◽  
Sharat Chandra ◽  
Nilesh P. Salke ◽  
S. N. Achary ◽  
A. K. Tyagi ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
Soft Modes

Raman spectroscopy study on concentrated acid treated carbon nanotubes

2009 ◽  
Vol 246 (11-12) ◽  
pp. 2717-2720 ◽  
Author(s):  
Sara Costa ◽  
Blazej Scheibe ◽  
Mark Rummeli ◽  
Ewa Borowiak-Palen
Keyword(s):  
Carbon Nanotubes ◽  
Raman Spectroscopy ◽  
Spectroscopy Study ◽  
Treated Carbon
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