Accelerate Li-ion and Na-ion Battery Development: Bridging Automated Experimental Methods with Theoretical and Operando Insights

• Autores: Maha Ismail
• Directores de la Tesis: Amaia Saracibar Ruiz de Ocenda (dir. tes.), Marine Reynaud (codir. tes.)
• Lectura: En la Universidad del País Vasco - Euskal Herriko Unibertsitatea ( España ) en 2025
• Idioma: inglés
• Programa de doctorado: Programa de Doctorado en Ciencia y Tecnología de Materiales por la Universidad del País Vasco/Euskal Herriko Unibertsitatea
• Menciones:
  • Internacional
• Calificación: Sobresaliente Cum Laude
• Materias:
  • Química
• Enlaces
  • Tesis en acceso abierto en: ADDI
• Resumen

  • Advancing the discovery of sustainable, high-performance, and cost-effective battery materials requires accelerating traditional development workflows. This thesis presents an integrated approach combining automated, high-throughput synthesis with theoretical modeling and operando characterization to investigate Fe-Mn-based positive electrode materials for Li-ion and Na-ion batteries. Through the study of NaFe1-yMnyPO4 and LiFe0.5Mn1.5O4 systems, advanced techniques are employed, including synchrotron X-Ray and neutron diffraction, X-Ray absorption, Mössbauer spectroscopy, DFT calculations, and operando analysis, to gain deep insights into microstructural evolution, defect chemistry, phase stability, and electrochemical mechanisms. The development of the high-throughput solvothermal synthesis module and the automated drop-cast electrodes setup (ADEL) enabled the acceleration of battery material development, bridging the gap between material synthesis and electrochemical testing. These findings reveal key factors governing performance and reproducibility, promoting more efficient material optimization. Together, these contributions provide a versatile foundation for integrating machine learning and autonomous experimentation in next-generation energy storage research.