Dataset of "Investigating the Influence of Metal Centres on MIL-101-Derived Carbon Matrices for Silicon Anodes "

Carbonised C-MIL-101(Fe) and C-MIL-101(Cr) were investigated as functional matrices for silicon-based composite anodes to elucidate the influence of the metal centre on carbonisation behaviour, textural properties, and electrochemical performance. Nitrogen adsorption measurements showed that pristine MIL-101(Cr) and MIL-101(Fe) possessed specific surface areas of 3445 and 2995 m² g⁻¹, respectively. After carbonisation, the Cr-based material retained a significantly higher surface area than its Fe analogue (223 vs. 63 m² g⁻¹), indicating superior preservation of the porous architecture. Si/C-MIL-101(Cr) delivered a higher capacity at 2 C (726 vs. 612 mAh g⁻¹) and superior long-term cycling stability, retaining 667 mAh g⁻¹ after 400 cycles compared with 630 mAh g⁻¹ for Si/C-MIL-101(Fe). The results demonstrate that the metal centre plays a decisive role in governing the structural evolution of MIL-101-derived carbon matrices and their electrochemical performance in silicon-based lithium-ion battery anodes.