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Ab-initio Investigation on h-Be3N2 Monolayer for Photocatalytic Hydrogen Evolution Reaction and Oxygen Evolution Reaction
In this work, we have systematically investigated the structural stability, electronic properties, and photocatalytic performance of the 2D h-Be3N2 monolayer for water splitting application, utilizing a first-principles density functional theory. Electronic structure calculations based on the PBE fu
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