Sensor properties of carboxyl-modifies carbon nanotubes
Abstract
This paper studies the sensor activity of carboxyl-modified single-walled carbon nanotubes (zig-zag, armchair type) to atoms and ions of alkali metals Na, Li, K. The mechanism of the carboxyl binding to the open border of the semi-infinite carbon nanotube is investigated. Calculations of the interaction processes between the sensor and sample alkali atoms and alkaline ions are performed. The process of scanning a sample surface site with atoms of metals under consideration is modeled and the functional carboxyl group chemical activity is defined. The research is performed by the MNDO method within the framework of the molecular cluster model and DFT method.
Keywords
sensor properties,
carbon nanotube,
sensory activity,
functional carboxyl group,
alkali metals,
chemical active sensor,
semi-empirical scheme MNDO,
DFT method
Supporting agencies: The research has been supported by grant from the Ministry of Education and Science of the Russian Federation, project 14.B37.21.0080.
About the Authors
N. P. Polikarpova
Volgograd State University
Russian Federation
Russian Federation
Volgograd
I. V. Zaporotskova
Volgograd State University
Russian Federation
Russian Federation
Volgograd
D. E. Vilkeeva
Volgograd State University
Russian Federation
Russian Federation
Volgograd
D. I. Polikarpov
Volgograd State University
Russian Federation
Russian Federation
Volgograd
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Review
For citations:
Polikarpova N.P., Zaporotskova I.V., Vilkeeva D.E., Polikarpov D.I. Sensor properties of carboxyl-modifies carbon nanotubes. Nanosystems: Physics, Chemistry, Mathematics. 2014;5(1):101-106.
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