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686 积分 2024-12-31 加入
Investigation of hydrogen storage and energy harvesting potential of double perovskite hydrides A2LiCuH6 (A = Be/Mg/Ca/Sr): A DFT approach
1个月前
已完结
Computational design of high-capacity Mg-based complex hydrides MgAA′H6 (A = Li, Na; A′ = Co, Rh, Ir) for reversible hydrogen storage
1个月前
已完结
First-principles comparative study of RuO2: Analysis of crystal structure, electronic and optical properties
1个月前
已完结
First principles study to explore the physical properties of Li-based double perovskite hydrides for hydrogen storage applications
1个月前
已完结
Pressure induces the structural stability, mechanical, electronic and optical properties of alkali metal AMH (AM=Li and Na) hydrides for hydrogen storage
1个月前
已完结
A comparative ab initio analysis of the stability, electronic, thermodynamic, mechanical, and hydrogen storage properties of SrZnH3 and SrLiH3 perovskite hydrides through DFT and AIMD Approaches
1个月前
已完结
Systematic Computational Screening and Design of Double Perovskites Q2LiMH6 (Q = K, Rb; M = Ga, In, Tl) for Efficient Hydrogen Storage: A DFT and AIMD Approach
1个月前
已完结
Pressure induces the structural stability, mechanical, electronic and optical properties of alkali metal AMH (AM=Li and Na) hydrides for hydrogen storage
3个月前
已完结
Uncover the structural and hydrogen storage mechanism of B–H borohydrides for hydrogen storage
3个月前
已完结
Exploring the structural, hydrogen storage capacity, dehydrogenation behavior, mechanical, electronic and optical properties of Ti–H hydrides for hydrogen storage
3个月前
已完结
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