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The quantum mechanical calculations based on density functional theory (DFT) have been performed to study ground state structural and electronic properties of BeH2 and along with doping of two (BeH2

Study of Structural and Electronic Behavior of BeH2 as Hydrogen Storage Compound: An Ab Initio Approach

Study of Structural and Electronic Behavior of BeH₂ as Hydrogen Storage Compound: An Ab Initio Approach