Structural, Stabilities and Energetic properties of BGen clusters: A DFT Study

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dc.contributor.authorMeriem Benaida
dc.contributor.authorKamal Eddine Aiadi
dc.contributor.authorSofiane Mahtout
dc.contributor.authorZitouni
dc.date.accessioned2024-06-05T14:32:17Z
dc.date.available2024-06-05T14:32:17Z
dc.date.issued2019-02-24
dc.descriptionIntervention
dc.description.abstractWe 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.
dc.identifier.citationMeriem 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].
dc.identifier.urihttps://dspace.univ-eloued.dz/handle/123456789/33242
dc.language.isoen
dc.publisherUniversty Of El-oued جامعة الوادي
dc.subjectGe Clusters
dc.subjectB atom
dc.subjectDensity functional theory
dc.subjectStructural properties
dc.subjectenergetic properties.
dc.titleStructural, Stabilities and Energetic properties of BGen clusters: A DFT Study
dc.typeIntervention

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