Fathan Muyassar Santana, Fahmi Astuti, Markus Diantoro, Diah Agustina Puspitasari, Angga Dito Fauzi, Zainul Arifin Imam Supardi, Mochamad Zainuri, Dita Puspita Sari, Isao Watanabe, Darminto
This work focuses on the modification of lithium iron phosphate (LiFePO4, LFP) electrodes for enhanced performance in lithium-ion batteries. More especially, phosphorus (P) of LiFePO4 is partly replaced with silicon (Si) for improving phase stability and electrochemical performance. The LiFeP1-xSixO4 is prepared by the sol-gel process, obtaining a Si-doped olivine phase along with a minor impurity of LiFeSiO4. Structural and chemical analysis indicated successful Si isomorphous substitution associated with Fe coordination and oxidation state variation. The electrochemical results indicate that Si doping under certain doping level contributes to improving the electrical conductivity, specific capacitance and charge transfer efficiency, while the excellent cycling stability was also retained. Complementing density functional theory (DFT) calculations demonstrate the reduced electronic band gap and altered Fe–O–P(Si) bonding environment that are consistent with the enhanced electronic transport. In addition, the electronic transport is analyzed and it indicates that Si incorporation not only enhances structural stability but also suppresses electronic localization in the lattice. © 2026 Elsevier Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.
Department of Physics, Faculty of Science and Data Analytics, Institut Teknologi Sepuluh Nopember, Surabaya, 60111, Indonesia; Department of Physics, Faculty of Mathematics and Science, Universitas Negeri Malang, Malang, 65145, Indonesia; Department of Chemical Engineering, Faculty of Mathematics and Science, Universitas Brawijaya, Malang, 65145, Indonesia; Department of Physics, Faculty of Science and Technology, Universitas Airlangga, Surabaya, 60115, Indonesia; Department of Physics, Faculty of Mathematics and Science, Universitas Negeri Surabaya, Surabaya, 60231, Indonesia; College of Engineering, Shibaura Institute of Technology, Saitama, 337-8570, Japan; Nuclear Structure Research Group, RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan
