Structural, morphological, and electrochemical properties of novel Li2Mn0.975Mo0.025(Si1−xBx)O4/C cathode materials for solid-state lithium-ion batteries

Çelik Ö., Kadiroğlu Ü.

Journal of Energy Storage, sa.182, ss.1-20, 2026 (Scopus)

Özet

Lithium manganese orthosilicate (Li2MnSiO4) is a favorable cathode material to use in lithium-ion batteries (LIBs) since it has a high theoretical capacity and a high thermal stability. Nevertheless, its practical application is severely obstructed by low electronic conductivity and structural instability during electrochemical cycling. These weaknesses limit its use in lithium-ion batteries and to overcome these problems, modification of Li2MnSiO4 is necessary. This paper introduces a systematic study of structural, morphological, thermal, electrochemical and transport properties of molybdenum and boron co-doping on lithium manganese orthosilicate, Li2Mn0.975Mo0.025(Si1−xBx)O4/C (x = 0, 0.01, 0.05, 0.10), synthesized via the sol-gel method. The X-ray diffraction patterns show that the materials exhibited crystal structures of the orthorhombic Pmn21 space group. The B-doping caused a shift in peaks, reflecting reduction in lattice parameters owing to the smaller ionic radius of B3+ than Si4+. The molybdenum and boron co-doping in lithium manganese orthosilicate (LMMoS-B2) (x = 0.05) exhibited the best overall performance, delivering the highest initial discharge capacity and better cycling stability across all investigated C-rates (0.05C–1.0C). After 100 cycles, the capacity retentions of LMMoS-B2 and LMMoS at 1C were found to be ~56% and ~ 23%, respectively. This significant improvement indicates that the B2 modification effectively mitigates capacity fading and enhances the structural integrity of the electrode material during repeated lithiation and delithiation. EIS measurements revealed that boron doping significantly reduced the charge-transfer resistance (Rct). A finite element method (FEM)-based computational framework was also developed to model the solid-state lithium-ion diffusion behavior within the cathode particles, providing theoretical insight into the transport enhancement mechanism imparted by boron doping.