Author(s):
Faycal Baira, Yamina Benkrima, Mohammed Elbar Soudani, Abdelkader Souigat, Afif benameur, Zineb korichi, Djamel Eddine Belfennache
Email(s):
benkrimayamina1@gmail.com
DOI:
10.52711/0974-4150.2023.00036 
Address:
Faycal Baira1, Yamina Benkrima2*, Mohammed Elbar Soudani3, Abdelkader Souigat2, Afif benameur4, Zineb korichi2, Djamel Eddine Belfennache5
1Faculty of Technology University of Batna2
2Ecole Normale Supérieure de Ouargla, 30000 Ouargla, Algeria.
3Laboratoire de Développement des Energies Nouvelles et Renouvelables dans les Zones Arides et Sahariennes, Faculté des Mathématiques et des Sciences de la Matière, Université Kasdi Merbah Ouargla, Ouargla 30000.
4Faculty of Science and Technology, University Mustapha Stambouli of Mascara, 29000, Algeria.
5Research Center in Industrial Technologies CRTI, P.O. Box 64, Cheraga, 16014 Algiers, Algeria.
*Corresponding Author
Published In:
Volume - 16,
Issue - 3,
Year - 2023
ABSTRACT:
The low-energy geometry and electronic structures of each of the nickel (Fen) and (Con) clusters were arrived at, where the number of n atoms that make up these groups ranges from 2 to 10 and this is based on the use of density functional theory (DFT) using generalized gradient approximation (GGA) taken from the method SIESTA. By searching for clusters with low-energy structures, new structures with low-energies were obtained. For each cluster size, the average bond length, binding energy, Vertical Ionization Potential (VIP) was calculated by this method. Low-energy structures of clusters are even for values n > 6 being linear in the plane, while stability showed that the clusters Fe10 and Co10 have the highest value of the binding energy. The VIP, show clear oscillations at odd and even values, indicating that Fe 2, 6,8,10 and Co 3,7,9 clusters have a higher stability compared to their neighboring clusters. In this research we have succeeded in studying some groups of iron and cobalt using DFT, and addressing their structural aspects in addition to their catalytic properties.
Cite this article:
Faycal Baira, Yamina Benkrima, Mohammed Elbar Soudani, Abdelkader Souigat, Afif benameur, Zineb korichi, Djamel Eddine Belfennache. Comparison between Iron and Cobalt Clusters in Terms of Chemical Catalysis. Asian Journal of Research in Chemistry 2023; 16(3):225-9. doi: 10.52711/0974-4150.2023.00036
Cite(Electronic):
Faycal Baira, Yamina Benkrima, Mohammed Elbar Soudani, Abdelkader Souigat, Afif benameur, Zineb korichi, Djamel Eddine Belfennache. Comparison between Iron and Cobalt Clusters in Terms of Chemical Catalysis. Asian Journal of Research in Chemistry 2023; 16(3):225-9. doi: 10.52711/0974-4150.2023.00036 Available on: https://ajrconline.org/AbstractView.aspx?PID=2023-16-3-6
REFERENCES:
1. Wenqiang Ma, Fuyi Chen, Electronic, magnetic and optical properties of Cu, Ag, Au-doped Si clusters, J Mol Model. 2013; 19(10): 4555-60. doi: 10.1007/s00894-013-1961-2
2. Michael Martins and Wilfried Wurth, Magnetic properties of supported metal atoms and clusters, Condensed Matter, 2016; J. Phys. Condens. Matter 28; 503002. doi.org/10.1088/0953-8984/ 28/50/503002
3. Gullipilli Sandhya, R. Ravichandra Babu, Synthesis and Characterization Co and Mg Co-doped TiO2Nanoparticles, Asian J. Research Chem, 2018; 11(3): 645-65. doi: 10.5958/0974-4150.2018.00115.3
4. Chhavi Gaur, Synthesis and Characterization of Copper (II), Nickel (II) Cobalt (II) and Fe (III) Complexes of Tetradentate Binucleating Schiff Base Ligands, Asian J. Research Chem, 2011; 4(2): 187-190. doi:not available.
5. Hayavadana N, Jayateertha N. S., Ajaykumar Kulkarni, Raviraj M. Kulkarni. Co(II), Ni(II) and Cu(II) Complexes of Asymmetric Aldazines: Synthesis, Characterization and Antimicrobial Studies, Asian J. Research Chem 2014; 7(2): 200-203. doi: not available.
6. Mahtout S, Tariket Y, Electronic and magnetic properties of Cr- Gen (15 ≤ n ≤ 29) clusters: a DFT study. Chem Phys. 2016; 472: 270-277. doi.org/10.1016/j.chemphys.2016.03.011
7. Yamina Benkrima, Abdelkader Souigat, Mohammed Elbar Soudani, Mohammed Seyf Eddine Bougoffa, Zineb Korichi, First Principle Calculation: Effect of Doped Gold Clusters with Platinum Atom on Chemical Catalysis. Asian Journal of Research in Chemistry, 2022; 15(4): 251-5.doi: 10.52711/0974-4150.2022.00045.
8. Carlin Geor Malar G., Madhava Anil Kumar, Muthulingam Seenuvasan, Kannaiyan Sathish Kumar. Synthesis, Surface Modification and Characterization of Iron Nanoparticles. Research J. Engineering and Tech 2013; 4(4): 268-271 doi: not available.
9. Madhusudhanan J and Sathishkumar K, Gold Nanoparticle for Protein Delivery, Research J. Engineering and Tech, 2013; 4(4): 260-263. doi:ijersonline.org/AbstractView.aspx?PID=2013-4-4-27
10. Kalyankar T. M., Butle S. R., Chamwad G. N. Application of Nanotechnology in Cancer Treatment, Research J. Pharm. and Tech 2012; 5(9): 1161-1167.doi: not available.
11. Deepak Jaitak, Nacchammai K., Pavithra K., Keerthi G. S. Nair, Sathesh Kumar S. Polymeric Nanoparticles for Anti-Cancer Treatment- A Review of its Mechanisms. Research J. Pharm. and Tech 2021; 14(3): 1747-1754. doi:10.5958/0974-360X.2021.00311.5.
12. Chitneni Vyshuk Rao, Manimaran V, Damodharan N, Review on Methods, Applications and Role of gold nano particles in Cancer Therapy, Research J. Pharm. and Tech. 2020; 13(8): 3963-3968. doi.org/ 10.5958/0974-360X.2020.00701.5
13. Alexander P. Nugraha, Igo S. Ihsan, Aristika Dinaryanti, Eryk Hendrianto, Helen Susilowati, Eric P. Prasetyo, Ida B. Narmada, Diah S. Ernawati, Andreas P. Nugraha, Viol Dhea Kharisma, Wibi Riawan, Fedik A. Rantam. Cobalt (II) Chloride in Enhancing Hypoxia Inducible Factor-1α Expression of Gingival Derived Mesenchymal Stem Cells in Vitro. Research Journal of Pharmacy and Technology 2021; 14(5): 2639-2641.doi: 10.52711/0974-360X.2021.00465.
14. Carlin Geor Malar G., Madhava Anil Kumar, Muthulingam Seenuvasan, Kannaiyan Sathish Kumar. Synthesis, Surface Modification and Characterization of Iron Nanoparticles. Research J. Engineering and Tech 2013; 4(4): 268-271. doi:not available.
15. Margaretha Solang, Djuna Lamondo, Ramli Utina, Syam Kumaji, Zuliyanto Zakaria. Assessment of Zinc, Iron, and Microbes concentrations in Blood Cockles (Anadara granosa) as Complementary Foods and Implications for reducing of Micronutrition Deficiency. Research Journal of Pharmacy and Technology. 2021; 14(6): 3399-3. doi: 10.52711/0974-360X.2021.00591.
16. Soler JM, Artacho E, Gale JD, Garcıa A, Junquera J, Ordejon P,. Sanchez-Portal D, J. Phys. Condens. Matter, 2002; 14: 2745. doi.org/10.1088/0953-8984/14/11/302.
17. Chang Q. Sun, Wang Y, Tay BK, Li S, Huang H, and Zhang Y.B, Correlation between the melting point of a nanosolid and the cohesive energy of a surface atom, 2002, J. Phys. Chem. B 2002; 106(41): 10701-10705. doi.org/10.1021/jp025868l.
18. Soler JM, Artacho E, Gale JD, Garcıa A, Junquera J, Ordejon P,. Sanchez-Portal D, J. Phys. Condens. Matter. 2002; 14: 2745. doi.org/10.1088/0953-8984/14/11/302.