Effects of multi-atom doping into Pt13 cluster using Ab initio method

This article mainly intended to investigate the structural and electronic properties of Pt 13 cluster with two atoms doped M (Ag, Ir, and Pd) within the framework of the density functional theory. The plane wave and DoS methods along with spin-polarized exchange–correlation functionals have been use...

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Veröffentlicht in:Theoretical chemistry accounts 2022-10, Vol.141 (10), Article 52
Hauptverfasser: Arunachalam, B., Manavalan, R., Gopalakrishnan, N.
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Sprache:eng
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