Asian Journal of Research in Chemistry

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Structural and Binding energy of Aun+1 and PtAun (n =1-9) Clusters


Affiliations
1 Ecole Normale Supérieure de Ouargla, 30000 Ouargla, Algeria ., India
2 Ecole Normale Supérieure de Ouargla, 30000 Ouargla, Algeria., India
3 Larbi Tebessi University, Tebessa, Laboratoire de Physique Appliquée et Théorique, Route de Constantine 12002 Tebessa, Algeria., India
4 Laboratoire 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., India
5 aboratory of Materials Technology, Department of Materials Science, University of Science and Technology Houari Boumediene, Bp 32 El Alia, Bab Ezzouar, 16111, Algeria., India
6 Radiation, Plasmas and Surface Physics Laboratory, Physics Department, Ouargla University, Ouargla 30000, Algeria., India
     

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In the current paper, we present a systematic calculation based on the Density functional theory (DFT), which aims to highlight the potential effects of doping platinum Pt clusters and the new electronic and light structural characteristics of platinum-infused gold clusters Aun (n= 1-9), so that less energy clusters are selected from the rest of the isomers per cluster size. The most stable structures with the lowest 3D structures starting from n=6. The average length of the bonds between the atoms of each cluster and the binding energy of these clusters is calculated relative to their size. Structural characteristics were studied, discussed and compared with all calculated properties by Gradient Density Approximation (GGA) with the Local Density Approximation (LDA), also highlighted the intensity of calculated cases and comparison of Au2 cluster with PtAu that the grafting of Aun clusters platinum Pt, makes them have characteristics that distinguish them to be qualified in their use of chemical stimulation

Keywords

Density functional theory, PtAun and Aun clusters, binding energy, Stability structure, chemical catalysis.
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  • Structural and Binding energy of Aun+1 and PtAun (n =1-9) Clusters

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Authors

Yamina Benkrima
Ecole Normale Supérieure de Ouargla, 30000 Ouargla, Algeria ., India
Abdelkader Souigat
Ecole Normale Supérieure de Ouargla, 30000 Ouargla, Algeria., India
Yassine Chaouche
Larbi Tebessi University, Tebessa, Laboratoire de Physique Appliquée et Théorique, Route de Constantine 12002 Tebessa, Algeria., India
Mohammed Elbar Soudani
Laboratoire 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., India
Mohammed Seyf Eddine Bougoffa
aboratory of Materials Technology, Department of Materials Science, University of Science and Technology Houari Boumediene, Bp 32 El Alia, Bab Ezzouar, 16111, Algeria., India
Naouia Mahdadi
Radiation, Plasmas and Surface Physics Laboratory, Physics Department, Ouargla University, Ouargla 30000, Algeria., India

Abstract


In the current paper, we present a systematic calculation based on the Density functional theory (DFT), which aims to highlight the potential effects of doping platinum Pt clusters and the new electronic and light structural characteristics of platinum-infused gold clusters Aun (n= 1-9), so that less energy clusters are selected from the rest of the isomers per cluster size. The most stable structures with the lowest 3D structures starting from n=6. The average length of the bonds between the atoms of each cluster and the binding energy of these clusters is calculated relative to their size. Structural characteristics were studied, discussed and compared with all calculated properties by Gradient Density Approximation (GGA) with the Local Density Approximation (LDA), also highlighted the intensity of calculated cases and comparison of Au2 cluster with PtAu that the grafting of Aun clusters platinum Pt, makes them have characteristics that distinguish them to be qualified in their use of chemical stimulation

Keywords


Density functional theory, PtAun and Aun clusters, binding energy, Stability structure, chemical catalysis.

References