Neural network assisted analysis of bimetallic nanocatalysts using X-ray absorption near edge structure spectroscopy

Author:

Marcella Nicholas12345ORCID,Liu Yang62345,Timoshenko Janis12345ORCID,Guan Erjia12345,Luneau Mathilde7895,Shirman Tanya1089511ORCID,Plonka Anna M.12345,van der Hoeven Jessi E. S.789510,Aizenberg Joanna789510ORCID,Friend Cynthia M.789510ORCID,Frenkel Anatoly I.12345ORCID

Affiliation:

1. Department of Materials Science and Chemical Engineering

2. Stony Brook University

3. Stony Brook

4. New York 11794

5. USA

6. Department of Chemistry

7. Department of Chemistry and Chemical Biology

8. Harvard University

9. Cambridge

10. John A. Paulson School of Engineering and Applied Sciences

11. Wyss Institute for Biologically Inspired Engineering

Abstract

Trained neural networks are used to extract the first partial coordination numbers from XANES spectra. In bimetallic nanoparticles, the four local structure descriptors provide rich information on structural motifs.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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