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90 积分 2025-11-19 加入
A DFT and MD analysis to predict hydrogen storage, mechanical, thermodynamic, electronic, and optical characteristics of novel perovskite hydrides XZrH3 (X= Mg, Ca, and Sr)
1个月前
已完结
First-principles study on the structure, mechanical, electrical, optical, kinetic, thermodynamic and hydrogen storage properties of the hydride perovskites XScH3 (X = K, Rb, Cs) for hydrogen storage applications
2个月前
已完结
First-principles study of Cu-based A2CuH6 (A = Li, Na, and K) double perovskite hydrides as promising solid-state hydrogen storage materials
2个月前
已关闭
Hydrogen storage performance of $$APH_6$$ (A = Na and K) perovskites hydrides through DFT study
2个月前
已完结
First-principles insights into NaScQH6 (Q = Fe, Ru, Os): Promising high-density hydrogen storage materials
3个月前
已完结
Comprehensive first-principles analysis on rare earth complex hydrides LiABH6 (A= Sc, Y; B = Fe, Ru, Os): A promising class of hydrogen storage materials
3个月前
已完结
Exploring the hydrogen storage potential of lead-free rubidium based perovskite hydrides: A first-principles study
3个月前
已完结
Influence of rare-earth substitution on physical and hydrogen storage properties of XTiH3 (X = Eu, Gd, Pm, Sm) hydrides: A first-principles and AIMD study
4个月前
已完结
First-principles study to explore the physical properties of zirconium-based hydride perovskites ZrXH3 (X=Sc, Ti, V, Mn or Fe) with the intention of storing hydrogen
4个月前
已完结
Influence of rare-earth substitution on physical and hydrogen storage properties of XTiH3 (X = Eu, Gd, Pm, Sm) hydrides: A first-principles and AIMD study
4个月前
已关闭
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