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First-principles investigation of Nb2C, Nb2CO2, Mo2C, and Mo2CO2 MXene nanoclusters as high-capacity sodium-ion battery anodes

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Sodium-ion batteries (SIBs) have emerged as a sustainable and cost-effective alternative to lithium-ion systems; however, their performance is limited by the lack of efficient anode materials. In this work, density functional theory (DFT) calculations were emp... ...