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648 积分 2024-09-11 加入
Catalytic mechanisms of TiH2 thin layer on dehydrogenation behavior of fluorite-type MgH2: A first principles study
29天前
已完结
Tailoring the physical and hydrogen storage properties of thermodynamically stable XSc3H8 (X= Li and Na) hydrides for the hydrogen storage application
1个月前
已完结
Computational evaluation of comprehensive properties of MgX3H8 (X = Sc, Ti and Zr) as effective solid state hydrogen storage materials
1个月前
已完结
First principles computational study of X2CaTiH6 (X =Li, and Na) for hydrogen storage applications
1个月前
已完结
Investigations of mechanical, magnetic and thermoelectric properties of double perovskites Na2IrX6 (X=Cl, Br) for spintronic and energy harvesting applications
1个月前
已完结
Comprehensive DFT analysis of structural, mechanical, electronic, optical, and hydrogen storage properties of novel perovskite-type hydrides Y₂CoH₆ (Y Ca, Ba, Mg, Sr)
1个月前
已完结
First-principles prediction of hydrogen storage capabilities in Pd-based alkali metal hydride X2PdH4 (X = Na, K, Rb, and Cs)
1个月前
已完结
Insights on electronic structures, elastic features and optical properties of mixed-valence double perovskites Cs2Au2X6 (X=F, Cl, Br, I)
2个月前
已完结
Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X = Cl, Br) for solar cells applications and their thermoelectric characteristics
2个月前
已完结
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