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Updated: Nov 2, 2025

Biological Samples Preparation for Speciation at Cryogenic Temperature using High-Resolution X-Ray Absorption Spectroscopy
Published on: May 27, 2022
Database of ab initio L-edge X-ray absorption near edge structure
Yiming Chen1, Chi Chen1, Chen Zheng1
1Department of Nanoengineering, University of California San Diego, La Jolla, CA, 92093, USA.
Abstract:
The L-edge X-ray Absorption Near Edge Structure (XANES) is widely used in the characterization of transition metal compounds. Here, we report the development of a database of computed L-edge XANES using the multiple scattering theory-based FEFF9 code. The initial release of the database contains more than 140,000 L-edge spectra for more than 22,000 structures generated using a high-throughput computational workflow. The data is disseminated through the Materials Project and addresses a critical need for L-edge XANES spectra among the research community.
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