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In this paper, we have investigated hydrogenated single-wall zigzag carbon nanotubes from (7,0) to (11,0) by using pseudopotential-based density functional theory. We found that the structure deformation of configuration follows the way preserving high symmetry as possible. One typical process that two dimer chains along the axis direction separate on CNT is presented. The configuration is more stable...
Single walled carbon nanotubes (SWCNT) as well as oxygen and nitrogen adsorption are studied by density function and discrete variational (DFT-DVM) method, one of the first principle calculation methods. Several models with difference lengths and calibers are studied to discuss the length and section of SWCNT that affects the properties. Different types of adsorption models are optimized based on...
Carbon nanotubes (CNTs) is grown by the catalytic thermal Chemical Vapor Deposition (Cat-CVD) at temperatures of 500degC to 800degC. CNTs are characterised by Raman spectrometry, and scanning electron microscopy (SEM) images. The photocatalysis efficiency is improved by using CNTs on Ni/TiO2 surface where absorption and decomposition are promoted.
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