Stability and electronic structures of triazine-based carbon nitride nanotubes

In contrast to the case of carbon nanotubes, the negative strain energy indicates that single-walled and double-walled triazine-based carbon nitride nanotubes (TACNNTs) are appreciably more stable than the single layer and the bilayer of gt-C3N4, respectively. Boron-doping turns the material into a magnetic semiconductor.

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ENERGY OF ARMCHAIR NANOTUBE USING THE MODIFIED CAUCHY-BORN RULE

International Journal of Modern Physics B ◽

10.1142/s0217979208051315 ◽

2008 ◽

Vol 22 (31n32) ◽

pp. 5881-5886 ◽

Cited By ~ 1

Author(s):

S. LU ◽

C.D. CHO ◽

L. SONG

Keyword(s):

Carbon Nanotubes ◽

Strain Energy ◽

Interatomic Potential ◽

Current Model ◽

Single Layer ◽

Mean Value ◽

Mean Value Theorem ◽

Born Rule ◽

The Difference ◽

The Continuum

Due to the difference of nanotube diameters, the single-walled carbon nanotubes (SWCNTs) show the different energy and mechanical properties. In order to take the effect of the curvature of nanotubes into account in the modeling of those structures, the present paper proposes an atomistic based continuum model with using a type of modified Cauchy-Born to link the continuum strain energy to the interatomic potential. This modified Cauchy-Born is developed by incorporating the concept of differential mean value theorem into the standard Cauchy-Born rule. The present model not only can bridge the microscopic and macroscopic length scales, but also can investigate the curvature effect of a single layer film on the continuum level. Application of the current model to armchair carbon nanotubes and graphite shows an excellent prediction of the size dependent strain energy which are compared in a good agreement with the existing experimental and theoretical results.

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Synergistic effect of carbon nanotubes and graphitic carbon nitride on the enhanced supercapacitor performance of cobalt diselenide-based composites

New Journal of Chemistry ◽

10.1039/d1nj02533c ◽

2021 ◽

Author(s):

Mingjie Li ◽

Xuan Zheng ◽

Xiang Li ◽

Youjun Yu ◽

Jinlong Jiang

Keyword(s):

Carbon Nanotubes ◽

Transition Metal ◽

Synergistic Effect ◽

Hydrothermal Method ◽

High Performance ◽

Carbon Nitride ◽

Electrode Materials ◽

One Dimensional ◽

Supercapacitor Performance ◽

Metal Selenides

Recently, transition metal selenides have been investigated extensively as promising electrode materials for high-performance supercapacitors. Herein, the multi-component CoSe2/CNTs@g-C3N4 composites are prepared using a two-step hydrothermal method by incorporating one-dimensional...

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Geometries, electronic structures and energetics of small-diameter single-walled carbon nanotubes

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2010.07.025 ◽

2011 ◽

Vol 43 (3) ◽

pp. 669-672 ◽

Cited By ~ 9

Author(s):

Koichiro Kato ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Electronic Structures ◽

Small Diameter ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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The Mechanism of Getting New Composite Polymer Materials with Improved Hardness Properties

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.887.85 ◽

2021 ◽

Vol 887 ◽

pp. 85-90

Author(s):

L.S. Elbakyan ◽

I.V. Zaporotskova ◽

D.E. Vilkeeva

Keyword(s):

Carbon Nanotubes ◽

Polymer Material ◽

Single Layer ◽

Scientific Basis ◽

Strength Properties ◽

Polymer Materials ◽

Mechanical Mixing ◽

Material Component ◽

Adsorption Interaction ◽

The Matrix

The main aims and the objectives of the study focused on solving current problems of nanomaterial science of new materials – creating the scientific basis for competitive methods of obtaining and controlling new composite materials having improved strength properties based on carbon-containing polymer matrices with nanotubes stabilized in them. A technology for obtaining experimental samples of nanocompositional polymer material based on polymethylmethacrylate, polybutylmethacrylate, and methacrylic acid doped with carbon nanotubes has been developed, using ultrasonic action and mechanical mixing of the composite mixture to achieve the most uniform distribution of nanotubes in the matrix. To determine the possibility of implementing the mechanism of adsorption interaction of the studied polymer material with the surface of carbon nanotubes, DFT calculations of the interaction of the polymer material component and single-layer carbon nanotubes of various types have been done.

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