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AlC2 monolayer and AlC2/graphene heterostructure as high-performance anode materials for sodium-ion batteries: A first-principles study

Year: 2026
Type: article
Abstract: Two-dimensional monolayers of group III (e.g., borophene, aluminene) and group IV (e.g., graphene) elements face challenges as sodium-ion battery (SIB) anodes due to their inherent structural instability and chemical inertness, respectively. To overcome these limitations, we proposed a stable aluminum dicarbide (AlC 2 ) monolayer, designed to combine the advantageous properties of both graphene and aluminene. Monolayer AlC 2 exhibits intrinsic metallicity and exceptional performance as an anode material for SIBs, featuring a low diffusion barrier (0.40 eV), a suitable average open-circuit voltage (0.25 V), and a high storage capacity (1577 mAh g −1 ). Furthermore, we constructed a graphene/AlC 2 van der Waals heterostructure to enhance electrochemical performance, which not only strengthens Na adsorption on graphene but also improves ionic diffusivity on the AlC 2 layer. These findings demonstrate that AlC 2 is a highly promising material for next-generation energy storage systems.
Language: English
Open Access status: hybrid
Estimated APC paid: $4,230
OpenAlex ID: W7128051499
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Cites: 61
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