Chalcogen substitution provides an effective strategy for simultaneously tuning the lattice dynamics, electronic structure, optical response, and transport behavior of chalcopyrite semiconductors. In this work, density functional theory (DFT) calculations are employed to establish the composition–property relationships...
E. Elkenany, M. A. Ghebouli, M. Fatmi et al.· Solar RRL· 0 citations
A comprehensive first-principles study reveals a spin–orbit coupling (SOC)-driven electronic phase transition in the lead-free double perovskite K₂WCl₆. The material exhibits a robust non-relativistic half-metallic ferromagnetic state. The inclusion of SOC strongly reconstructs the electronic states near the Fermi leve...
M. Abdelgaber, E. Elkenany, K. Bouferrache et al.· Scientific Reports· 0 citations
This study investigates the potential coastal air quality implications of tugboat operations associated with offshore mooring-buoy routes in Trabzon Port (Black Sea, Türkiye) through a route-level and mode-resolved integrated assessment combining an activity-based emission inventory, AERMOD dispersion modeling, and n...
S. Kose, K. Demirarslan, D. M. Sekban et al.· Frontiers in Marine Science· 0 citations
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