A Quantum, NBO, RDG study the interaction of cadmium ion with the pristine, C, P and C&P doped (4,4) armchair boron nitride nanotube (BNNTs)
Journal Title: Asian Journal of Nanoscience and Materials - Year 2018, Vol 1, Issue 4
Abstract
In this paper, by using of density function theory (DFT), we have investigated the interaction and adsorption of Cd+2 ion on the interior and exterior surface of pristine, C, P and C&P doped BNNTs. The calculated results indicate that the adsorption of Cd+2 is exothermic in thermodynamic approach. With adsorbing Cd+2 ion the electrical and optical properties of system alter significantly from original state. Inspection of quantum, natural bond orbital (NBO) and reduced density gradient (RDG) results confirm that the pristine and doped BNNTs are a good candidate to making sensor and adsorbent of Cd+2 in biological and environmental system.
Authors and Affiliations
Mahdi Rezaei Sameti, B. Amirian
Keywords
Related Articles
- EP ID EP580069
- DOI 10.26655/ajnanomat.2018.9.6
- Views 78
- Downloads 0
A smart spproach for delivering of nanosized olanzapine using piper betel biopolymer rate controlling flexi films for transvermillion delivery
The aim of the study was to prepare and characterize the nanosize drug loaded bio-flexi films using the novel bioexcipient isolated from the fresh leaves of the piper betle (bioexcipient P) and to explore the potentialit...
Effect of stirring to produce ferric saccharide capsules with alginate coating
The present study has focused on the effect of stirring to produce ferric saccharide capsules with alginate coating applying the coacervation method so that we can obtain the best capsules for fortification of hydrated a...
Interaction Parameters for CuCl2 Plus Orange G (OG) at 19.1oC Using Carbon Glassy Electrode (CGE) in KCl Aqueous Solutions
The redox mechanisms were examined for copper chloride in absence and presence of Orange G (OG) at 19.1°C using Carbon glassy electrode (CGE). The supporting electrolyte used is 0.1 M KCl effect of scan rate was also stu...
RECENT RESEARCH INNOVATIONS IN DRUG DELIVERY ‘THROUGH AND TO’ OCULAR ROUTE
Delivery of API molecules to the brain is a challenging task. The main aim of this review is to present ocular route as a powerful region and focus on the various Nano-formulations. Various efforts in ocular drug deliver...
Conductometric study on the benzoic acid in water+methanol systems at different solution temperatures
This research article explores the results of the ion-solvent interaction with the aid of electrical conductivity law of benzoic acid in triple distilled water and different amounts of methanol at 293 K, 303 K, 313 K, an...