Meriem BenaidaKamal Eddine AiadiSofiane MahtoutZitouni2024-06-052024-06-052019-02-24Meriem Benaida1, , Kamal Eddine Aiadi1, Sofiane Mahtout and Ikram Zitouni1 . Structural, Stabilities and Energetic properties of BGen clusters: A DFT Study. International Symposium on Technology & Sustainable Industry Development, ISTSID’2019. Faculty Of Technology. University Of Eloued. [Visited in ../../….]. Available from [copy the link here].https://dspace.univ-eloued.dz/handle/123456789/33242InterventionWe present a systematic computational study based on the density functional theory (DFT) aiming tohigh light the possible effects of one B doping atom on the structural, energetic, and electronic properties of different isomers of Gen+1 clusters in the atomic size range n = 1-5 atoms. By considering a large number of structures for each cluster size, the lowest-energy isomers are determined. The putative geometries show that the frameworks of the lowest-energy isomers are three-dimensional structures. The growth pattern behaviors and relative stabilities are analyzed from the binding energies, fragmentation energy and second-order difference of energies.enGe ClustersB atomDensity functional theoryStructural propertiesenergetic properties.Intervention