Understanding the Mechanism of Electrochemical Reduction of CO2 Using Cu/Cu-Based Electrodes: A Review
Understanding the Mechanism of Electrochemical Reduction of CO2 Using Cu/Cu-Based Electrodes: A Review

Pigewh Amos; Hitler Louis; Kayode Adesina Adegoke; Ededet Akpan Eno; Akakuru Ozioma Udochukwu; Thomas Odey Magub

Volume 5, Issue 4 , December 2022, , Pages 252-293

https://doi.org/10.26655/AJNANOMAT.2022.4.2

Abstract
  Interestingly, copper has been identified as an ideal metal catalyst for an industrial scale electrochemical reduction of CO2 to various value-added chemicals relative to other metal ...  Read More
Interaction Parameters for CuCl2 Plus Orange G (OG) at 19.1oC Using Carbon Glassy Electrode (CGE) in KCl Aqueous Solutions
Interaction Parameters for CuCl2 Plus Orange G (OG) at 19.1oC Using Carbon Glassy Electrode (CGE) in KCl Aqueous Solutions

Essamhassan G Arafa Gomaa; Moustafa Diab; Adel Elsonbati; Hamed M Abulenader; Asmaa Helmy

Volume 5, Issue 4 , December 2022, , Pages 294-302

https://doi.org/10.26655/AJNANOMAT.2022.4.3

Abstract
  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 ...  Read More
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)
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)

Mahdi Rezaei Sameti; B. Amirian

Volume 5, Issue 4 , December 2022, , Pages 327-335

https://doi.org/10.26655/AJNANOMAT.2022.4.6

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 ...  Read More
Thermodynamic data (Voltammetrically) Estimated for the Interaction of Nano Cadmium Chloride (Ncc) with Isatin Using Glassy Carbon Electrode
Thermodynamic data (Voltammetrically) Estimated for the Interaction of Nano Cadmium Chloride (Ncc) with Isatin Using Glassy Carbon Electrode

Mohamed A Morsi; Essam A. Gomaa; Alaa S Nageeb

Volume 5, Issue 4 , December 2022, , Pages 346-357

https://doi.org/10.26655/AJNANOMAT.2022.4.8

Abstract
  The redox behavior for nano cadmium chloride (Ncc) was studied using cyclic voltammetry in the absence and presence of isatin (Isa.) on the use carbon glassy electrode (CGE) prepared ...  Read More
The drug delivery appraisal of Cu and Ni decorated B12N12 nanocage for an 8-hydroxyquinoline drug: A DFT and TD-DFT computational study
The drug delivery appraisal of Cu and Ni decorated B12N12 nanocage for an 8-hydroxyquinoline drug: A DFT and TD-DFT computational study

Hourinaz Darougari; Mahdi Rezaei-Sameti

Volume 5, Issue 3 , September 2022, , Pages 196-210

https://doi.org/10.26655/AJNANOMAT.2022.3.3

Abstract
  In the current work, the density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at ωB97XD/Lanl2DZ level of theory was accomplished to study the ...  Read More
A DFT, NBO, RDG, MEP and thermodynamic sudy of acrolein interaction with pristine and Ga‒doped boron phosphide nanotube
A DFT, NBO, RDG, MEP and thermodynamic sudy of acrolein interaction with pristine and Ga‒doped boron phosphide nanotube

Mahdi Rezaei Sameti

Volume 2, Issue 4 , October 2019, , Pages 399-412

https://doi.org/10.26655/AJNANOMAT.2019.4.3

Abstract
  In this research, the interaction of the acrolein (Acr) molecule with the pristine and Ga‒doped boron phosphide nanotube (BPNTs) was investigated using the density functional theory ...  Read More
A computational study of thermophysical, HOMO, LUMO, vibrational spectrum and UV-visible spectrum of cannabicyclol (CBL), and cannabigerol (CBG) using DFT
A computational study of thermophysical, HOMO, LUMO, vibrational spectrum and UV-visible spectrum of cannabicyclol (CBL), and cannabigerol (CBG) using DFT

Md Nuruzzaman Sarker; Ajoy Kumer; Mohammad Jahidul Islam; Sunanda Paul

Volume 2, Issue 4 , October 2019, , Pages 439-447

https://doi.org/10.26655/AJNANOMAT.2019.4.8

Abstract
  Cannabicyclol, also called CBL, is one of the least known and studied isomer of cannabinoids in the cannabis plant, and it is the precursor of the different cannabinoids found in marijuana ...  Read More
Conductometric study on the benzoic acid in water+methanol systems at different solution temperatures
Conductometric study on the benzoic acid in water+methanol systems at different solution temperatures

Narasimha Raghavendra

Volume 2, Issue 3 , July 2019, , Pages 350-355

https://doi.org/10.26655/AJNANOMAT.2019.2.3.8

Abstract
  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 ...  Read More
TD-DFT Calculations, Electronic Structure, NBO , NLO Analysis, Biological Activity, and Electronic Absorption Spectra of Some Novel Schiff base Derivatives
TD-DFT Calculations, Electronic Structure, NBO , NLO Analysis, Biological Activity, and Electronic Absorption Spectra of Some Novel Schiff base Derivatives

Shimaa Abdel Halim; Essamhassan G Arafa Gomaa; Shymaa E. Rashedb

Volume 2, Issue 2 , April 2019, , Pages 159-185

https://doi.org/10.26655/ajnanomat.2019.3.4

Abstract
  The electronic structure and spectra of schiff base derivatives compounds are investigated using TD-DFT/B3LYB/6-311G (d, p) level of theory. The results of calculations show that all ...  Read More
Host-guest interaction in chitosan– MX (3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone) complexes in water solution: Density Functional Study
Host-guest interaction in chitosan– MX (3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone) complexes in water solution: Density Functional Study

Fatemeh Houshmand; Hamide Neckoudaria; Majid Baghdadi

Volume 2, Issue 1 , January 2019, , Pages 49-65

https://doi.org/10.26655/ajnanomat.2019.1.4

Abstract
  The present study is an attempt to provide an insight into the stability, in terms of interaction energy and thermodynamic parameter, and reactivity, quantified by reactivity descriptors, ...  Read More
Theoretical and Experimental Methods for Studying Volumetric Behavior of Binary mixtures Containing Normal Alkanols
Theoretical and Experimental Methods for Studying Volumetric Behavior of Binary mixtures Containing Normal Alkanols

Mohammad Almasi

Volume 1, Issue 3 , July 2018, , Pages 166-171

https://doi.org/10.26655/ajnanomat.2018.6.7

Abstract
  In this paper, molecular interactions in the binary mixtures composed of a xylene and selected 1-alkanol (1-butanol up to 1-octanol) were investigated by measurement of the density ...  Read More
Thermodynamic Parameters for solvation of Copper sulphate in (ethanol-water) mixed solvent at different temperatures
Thermodynamic Parameters for solvation of Copper sulphate in (ethanol-water) mixed solvent at different temperatures

Radwa Rashad; Esam Gomaa

Volume 1, Issue 2 , May 2018, , Pages 81-89

https://doi.org/10.26655/ajnanomat.2018.3.5

Abstract
  The measurements of copper sulphate conductance have happened in binary mixed solvent with ethanol in different mass fraction 0%, 20% and 40% (W/W) (EtOH-H2O) at four different temperatures ...  Read More