PDFgetE v3.0: Next-generation pair distribution functions extraction from electron diffraction data

This technology is a platform for extracting electron diffraction data from common transmission electron microscopes, in order to obtain atomic pair distribution functions and subsequently determine nanoscale material structure.

Unmet Need: Rapid extraction of pair distribution functions from nanoscale structures

Understanding the structure of materials at the atomic scale is necessary to engineer materials with desirable properties. Pair distribution functions (PDFs), which describe the distributions of interatomic distances, have become a powerful approach to quantitatively model data gathered from x-ray diffraction scattering techniques and determine the nanoscale structure of materials. Unfortunately, rapid acquisition of these data requires wide availability and access to accurate X-ray sources, which national synchrotron facilities cannot provide.

The Technology: Extraction of pair distribution functions from commonplace transmission electron microscopes

This technology presents an approach towards the characterization of amorphous and nanocrystalline materials using electron PDF (ePDF) data obtained from electron microscopes, and extends this methodology towards the characterization of organic small molecules. Electron scattering has demonstrated a number of advantages over conventional x-ray techniques, primarily allowing for the study of smaller and more dilute samples. This technology is able to rapidly and easily produce quantitatively reliable total scattering pair distribution functions (TSPDFs) of nanoparticles and other amorphous and nanocrystalline materials from electron diffraction (ED) data obtained from conventional electron microscopes.

This technology is a significantly updated third version of PDFgetE.

Applications:

• Characterizing nanostructured materials rapidly for nanotechnology applications.
• Characterizing amorphous phase pharmaceutical materials for small molecule studies.
• Optoelectronic characterization of materials such as OLEDs and photovoltaics.
• Qualification studies of organic dyes / pigments used in coatings and fabrics.
• Study and development of designer nanomaterials.
• An additional research tool available to research institutions, pharmaceutical companies, microelectronics, metallurgy, and other sectors.

Advantages:

• Electron microscopes are more easily accessible than x-ray diffraction devices.
• Electron microscopes can be more easily controlled than x-ray sources.
• Coupling measurement with electron microscope analysis allows for enhanced study of nanomaterials.
• This technology can be retroactively applied to election diffraction data gathered from earlier experiments.

Lead Inventor:

Simon J.L. Billinge, Ph.D.

Related Publications:

• Gorelik TE, Schmidt MU, Kolb U, Billinge SJ. “Total-scattering pair-distribution function of organic material from powder electron diffraction data” Microsc Microanal. 2015 Apr; 21(2): 459-71.

• Abeykoon AMM, Hu H, Wu L, Zhu Y, Billinge SJL. “Calibration and data collection protocols for reliable lattice parameter values in electron pair distribution function studies” J App Cryst. 2015 Jan; 48(1): 244-51.

• Hu H, Abeykoon AMM, Wu L, Zhu Y, Billinge SJL. “Quantitative structural analysis of nanoparticles using electron pair distribution function (ePDF)” Microsc Microanal. 2014 Aug; 20(S3): 630-31.

• Abeykoon AMM, Malliakas CD, Juhas P, Bozin ES, Kanatzidis MG, Billinge SJL. “Nanostructure characterization using atomic pair distribution functions obtained from laboratory electron microscopes” Z Krist-Cryst Mater. 2012 Mar; 227(5): 248-56.

Tech Ventures Reference:

• IR CU20203

• Licensing Contact: Greg Maskel