1Ecole Normale Supérieure de Ouargla, 30000Ouargla, Algeria.
2Larbi Tebessi University, Tebessa, Laboratoire de Physique Appliquée et Théorique, Route de Constantine12002Tebessa, 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, Ouargla30000.
4Laboratory of Materials Technology, Department of Materials Science, University of Science and Technology Houari Boumediene, Bp 32 El Alia, Bab Ezzouar, 16111, Algeria.
5Radiation, Plasmas and Surface Physics Laboratory, Physics Department, Ouargla University, Ouargla30000, Algeria.
*Corresponding Author E-mail: benkrimayamina1@gmail.com
Online Published on 02 March, 2023.
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.
Density functional theory, PtAun and Aun clusters, Binding energy, Stability structure, Chemical catalysis
