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40 积分 2025-11-19 加入
First-principles exploration of Na2LiXH6 (X = Y, Mn) hydrides: Toward next-generation hydrogen storage materials
1天前
求助中
First-principles insights into LiMgXH6 (X = Al, Ga, In) for hydrogen storage: A comprehensive study of structural stability, electronic, mechanical, and optical properties
1天前
已完结
Study of structural, electronic, phonon, thermodynamic, and hydrogen storage properties of hydride Rb2AsSnH6 perovskites: DFT insights
2天前
已完结
First-principles investigation for the hydrogen storage properties of AeSiH3 (Ae = Li, K, Na, Mg) perovskite-type hydrides
9天前
已完结
Rational design of perovskite XLiH3 (X = Si, Ge, Sn) hydride by A-site cation substitution for efficient hydrogen storage
10天前
已完结
First-principles investigation of the elastic, Vickers hardness and thermodynamic properties of Al–Cu intermetallic compounds
10天前
已完结
Insight into the structures, melting points, and mechanical properties of NbSi 2 from first‐principles calculations
10天前
已完结
First-principles investigation of structural, mechanical, electronic, optical, and thermodynamic properties of perovskite hydrides XRuH3 (X=Mg, Ca, Sr, Ba) for hydrogen storage
14天前
已完结
Hybrid parameter encoding empowers multi-module collaborative inverse design of optical nanoantennas
17天前
已完结
First‐Principles Study of the Stability, Physical Properties, and Molecular Dynamics in KSrZH6 (Z = Rh, Ir) for Hydrogen Storage Applications
23天前
已完结
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