The investigation starts by analyzing the impact of increased interlayer spacing on the characteristics of Li + diffusion pathways within molecular pillar-free V2O5, utilizing the Bond Valence Site Energy (BVSE) approach as shown in Fig. . According to the static BVSE model, there are 1D diffusion pathways for Li + sites with interlayer spacing of 0.87 nm. However, an increase in interlayer spacing facilitates the connection between channels, resulting in the formation of a 2D network of Li + pathways. Interestingly, the diffusion pathways for the system with an increase in interlayer spacing to 1.21 nm illustrate interactions with oxygen in a non-equivalent manner, adhering predominantly to one side, thereby facilitating a diffusion process more akin to surface diffusion (Fig. ).