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The theoretical analysis provided by first-principlescalculationbased on density functional theory(DFT)were carried outto investigatethe performance ofboth bulk and single-layer V2O5as cathode materials for Li,Na,K,and Mgion batteries.The differences of voltage and diffusion barrier of Li ions with bulk and single-layer V2O5are minimal.NaandKions movingon single-layer V2O5have a rather lower diffusion barrier(0.35 eV)than that in bulk V2O5(1.16 eV)without a great voltage loss.