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Synthesis and Microdiffraction at Extreme Pressures and Temperatures
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High throughput X-ray diffraction analysis of combinatorial polycrystalline thin film libraries.

Scilla Roncallo1, Omeed Karimi, Keith D Rogers

  • 1Solar Cell Group, Centre for Materials Science and Engineering, Cranfield University, Shrivenham, Swindon, SN6 8LA, UK.

Analytical Chemistry
|May 7, 2010
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Summary

This study introduces a new X-ray diffraction (XRD) method for rapid material analysis. The Bandit algorithm analyzes extended X-ray beams, offering faster and reliable crystallographic data collection for thin film libraries.

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Area of Science:

  • Materials Science
  • Analytical Chemistry
  • Crystallography

Background:

  • Increasing demand for novel materials necessitates rapid characterization techniques.
  • Thin film technology enables creation of compositionally graded libraries for enhanced information content.
  • Conventional raster scan methods for analyzing these libraries are time-consuming.

Purpose of the Study:

  • To develop a high-throughput method for analyzing compositionally graded thin film libraries.
  • To present a novel approach using X-ray diffraction (XRD) for accelerated data collection and analysis.
  • To introduce and validate the "Bandit" algorithm for extracting crystallographic information.

Main Methods:

  • Utilized an extended X-ray beam to illuminate thin film libraries.
  • Employed a large area detector for comprehensive data acquisition.
  • Applied the "Bandit" algorithm for analyzing the collected diffraction data.

Main Results:

  • The new XRD technique significantly increases data acquisition speed compared to raster scans.
  • The "Bandit" algorithm successfully extracts reliable crystallographic information from the analyzed data.
  • Demonstrated the efficiency of the extended beam and large area detector approach.

Conclusions:

  • The presented XRD method offers a high-throughput solution for characterizing material libraries.
  • The "Bandit" algorithm provides a reliable and faster alternative for crystallographic analysis.
  • This technique accelerates the discovery and development of new materials.