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626 积分 2024-12-31 加入
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
17小时前
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
17小时前
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
Uncover the structural and hydrogen storage mechanism of B–H borohydrides for hydrogen storage
1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
1个月前
已完结
Enhancing the dehydrogenation behavior of the LiAlH4(100) surface through transition metal doping (TM=Co, Ti, Pt, and Pd)
1个月前
已完结
Recent progress of ABH3 perovskite hydrides for hydrogen storage: Design strategies, challenges and prospects
1个月前
已完结
In-situ laser remelting enabling strength-ductility synergy in LPBF-fabricated Cu-Cr-Zr alloy
1个月前
已完结
Study of lead-free double perovskites X2AgBiI6 (X = K, Rb, Cs) for solar cells and thermoelectric applications
1个月前
已完结
First-Principles insights to probe structural and opto-electronic properties of AgYF3 (Y=Mg, Sr) halide perovskites with variety of DFT methods
1个月前
已完结
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