Non‑lithium metal ion batteries (NLMIBs) will play an important part in sustainable energy and grid storage. Searching for high-performance electrode materials are critical to the development of NLMIBs. From first-principles calculations, we predict that penta-siligraphene (P-Si₂C₄), a new two-dimensional (2D) layered material obtained by replacing the sp³ C atoms in penta-graphene with Si atoms, can be used as a promising anode material for NLMIBs including Na-, K-, Rb-, Ca-, Sr- and Ba-ion. The theoretical specific capacities for Na, Sr, Ba, Rb, K and Ca ions are 514.3, 1028.7, 1028.7, 578.6, 1028.7 and 2057.3 mA h g⁻¹, respectively. The metal-ion intercalation potentials (0.1–1.0 V) are suitable for battery application. After metal-ions adsorbed, the electronic structures of P-Si₂C₄ become metallic indicating of good electronic conductivity of the anode. The metal-ion/vacancy diffusion energy barriers on the surface of P-Si₂C₄ are relatively small and ensure good rate performance. Our research offers a promising high performance anode material for the application in NLMIBs.

非锂金属离子电池（NLMIB）将在可持续能源和电网存储中发挥重要作用。寻找高性能电极材料对于 NLMIBs 的发展至关重要。根据第一性原理计算，我们预测五硅石墨烯（P-Si ₂ C ₄）是一种新的二维（2D）层状材料，通过用硅原子取代五石墨烯中的sp ³ C原子而获得，可用于作为一种有前途的 NLMIB 负极材料，包括 Na-、K-、Rb-、Ca-、Sr- 和 Ba-离子。Na、Sr、Ba、Rb、K 和 Ca 离子的理论比容量为 514.3、1028.7、1028.7、578.6、1028.7 和 2057.3 mA h g ^-1， 分别。金属离子嵌入电位 (0.1–1.0 V) 适用于电池应用。吸附金属离子后，P-Si ₂ C ₄的电子结构变为金属，表明阳极具有良好的电子导电性。_{P-Si 2} C ₄表面的金属离子/空位扩散能垒较小，保证了良好的倍率性能。我们的研究为 NLMIBs 的应用提供了一种有前途的高性能负极材料。