Driving XRD in Battery Analysis XRDynamic 500

Importance of Topic

X-ray diffraction (XRD) provides atomic-scale structural information vital for developing and optimizing battery materials. Its non-destructive nature allows for detailed characterization of electrodes, separators, and complete cells under real-world conditions. Tracking crystal structure changes helps ensure safety, performance, and longevity of Li-ion and emerging battery technologies.

Objectives and Study Overview

This application note introduces the XRDynamic 500 XRD system tailored for battery research. It highlights the system’s capacity to perform ex situ, in situ, and operando measurements on raw materials and full cells, demonstrating how high data quality and automation streamline R&D and quality control workflows.

Methodology and Instrumentation

The XRDynamic 500 platform integrates:

• X-ray sources with Cu, Mo, or Ag anodes optimized for reflection or transmission geometries.
• Focusing optics and adjustable beam paths for hard radiation experiments through complete cells.
• Dedicated sample stages and holders for coin, pouch, and prismatic cells, including gas-tight variants.
• Pixos 2000 CdTe solid-state pixel detector (>99% efficiency) for rapid, high-intensity data collection.

Main Results and Discussion

• The TruBeam™ concept and automation enable consistent, high-quality diffraction data across diverse battery formats.
• Operando measurements on graphite anodes reveal crystallite sizes of 41.2 nm and graphitization degrees of 92.7%, correlating peak shifts with state of charge.
• Transmission geometry with hard radiation (Mo or Ag) allows structural monitoring of intact coin and pouch cells during charge/discharge cycles.
• PDF analysis on semi-crystalline or amorphous components provides local structural insights complementary to traditional diffraction patterns.

Benefits and Practical Applications

• Enhanced understanding of phase transitions and degradation mechanisms under real operating conditions.
• Rapid screening of new electrode and electrolyte materials for improved safety and performance.
• Streamlined QC procedures in manufacturing through non-destructive testing of entire cells.
• Applicability to next-generation chemistries (e.g., Na- or Mg-based systems) using flexible radiation sources.

Future Trends and Potential Uses

• Integration with machine learning for automated pattern recognition and predictive degradation modeling.
• Development of spatially resolved operando XRD for mapping heterogeneities within large-format cells.
• Expansion to high-temperature and high-pressure operando studies for extreme-environment batteries.
• Hybrid multimodal analyses combining XRD with spectroscopy or imaging to capture chemical and morphological changes simultaneously.

Conclusion

XRDynamic 500 addresses critical challenges in battery research by delivering versatile, high-resolution XRD capabilities for both component-level and complete-cell investigations. Its advanced instrumentation fosters deeper insight into structural dynamics, supporting the development of safer and more efficient energy storage solutions.

Used Instrumentation

• XRDynamic 500 X-ray diffractometer
• Cu, Mo, and Ag X-ray anodes
• Focusing X-ray optics for reflection and transmission modes
• Dedicated coin, pouch, and prismatic cell holders (including gas-tight options)
• Pixos 2000 CdTe solid-state pixel detector