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cond-mat.mtrl-sci2025★ 1 cited
Outstanding figure of merit at high temperature for DFT-based predicted double perovskite oxides, Ba2GaXO6 (X = V, Nb, Ta)
S. S. Saif, M. M. Hossain, M. A. Ali
Thermoelectric materials with a high figure of merit (ZT) are highly demanded for a sustainable solution to the energy crisis. In this study, we have predicted three new double per…
cond-mat.mtrl-sci2025
DFT prediction of new o-MAX phases: Mo2A2AlC3 (A = Zr, Nb, Ta) for next-generation thermal barrier coatings
M. I. A. Tanim, C. Talukder, S. S. Saif +5
The incorporation of o-MAX phases, characterized by out-of-plane atomic arrangements, provides valuable extensions to the MAX phase family, driven by their superior thermomechanica…