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Published June 1, 2010 | public
Journal Article

High Throughput X-ray Diffraction Analysis of Combinatorial Polycrystalline Thin Film Libraries


With the increasing demand for new materials, analytical techniques which are able to rapidly characterize a large number of samples are becoming indispensable. Thin film technology has the potential to improve the amount of information contained on as-deposited samples by creating compositionally graded libraries. Conventionally, raster scan methods are used to interrogate such libraries but, in this paper, a different approach is presented to provide a method of high-throughput data collection and analysis using an X-ray diffraction (XRD) probe. An extended X-ray beam was used to illuminate the libraries, and a large area detector was used to collect the data. A new algorithm "Bandit" has been employed to analyze the collected data and extract the crystallographic information. The results of the technique have been compared with the raster scans showing that the algorithm provides reliable data at a significantly increased data acquisition speed.

Additional Information

© 2010 American Chemical Society. Received for review March 3, 2010. Accepted April 23, 2010. Publication Date: May 5, 2010. We acknowledge the EPSRC (EP/F029624/1 SUPERGEN Photovoltaic Materials for the 21st Century) and Royal Society of Chemistry (EP/D074665/1) for their financial assistance. We are also grateful to the Diamond Light Source for the provision of their facilities which enabled the collection of the diffraction data used within this study.

Additional details

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