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<p>X-ray powder diffraction, scanning electron microscopy, energy-dispersive spectroscopy, transmission electron microscopy, surface area analysis Brunauer–Emmett–Teller method, and galvanostatic cycling were employed to investigate the influence of phase composition and morphology on capacity loss in Li-ion batteries using anatase–rutile TiO<sub>2</sub> anodes. Pore size distributions were derived from adsorption isotherms using density functional theory. XRD and TEM analyses revealed the coexistence of anatase and rutile phases forming cube-like particles and quasi core–shell structures. The presence of mixed TiO<sub>2</sub> polymorphs results in increased crystallite size, enlarged average pore size, and reduced surface area compared with single-phase materials. Electrochemical measurements demonstrate a clear correlation between crystallite size, oxygen vacancy concentration, and capacity fading during galvanostatic cycling. The dominant contribution of rutile-related surface oxygen vacancies is identified as a key factor governing irreversible capacity loss in mixed-phase TiO<sub>2</sub> anodes.</p> Graphical abstract <p></p>

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Reasons for capacity loss in Li-ion batteries with mixed anatase–rutile TiO2 anodes under cycling

  • 期刊论文

  • 发表日期：

    2026年4月7日

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  • Katherine Pershina,
  • Ivan Shcherbatiuk,
  • Vitaly Sirosh,
  • Oleksandr Potapenko,
  • Serhii Solopan

摘要

X-ray powder diffraction, scanning electron microscopy, energy-dispersive spectroscopy, transmission electron microscopy, surface area analysis Brunauer–Emmett–Teller method, and galvanostatic cycling were employed to investigate the influence of phase composition and morphology on capacity loss in Li-ion batteries using anatase–rutile TiO2 anodes. Pore size distributions were derived from adsorption isotherms using density functional theory. XRD and TEM analyses revealed the coexistence of anatase and rutile phases forming cube-like particles and quasi core–shell structures. The presence of mixed TiO2 polymorphs results in increased crystallite size, enlarged average pore size, and reduced surface area compared with single-phase materials. Electrochemical measurements demonstrate a clear correlation between crystallite size, oxygen vacancy concentration, and capacity fading during galvanostatic cycling. The dominant contribution of rutile-related surface oxygen vacancies is identified as a key factor governing irreversible capacity loss in mixed-phase TiO2 anodes.

Graphical abstract