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Annual Review of Analytical Chemistry

Volume 12, 2019

Solving the Structure and Dynamics of Metal Nanoparticles by Combining X-Ray Absorption Fine Structure Spectroscopy and Atomistic Structure Simulations

Abstract

Extended X-ray absorption fine structure (EXAFS) spectroscopy is a premiere method for analysis of the structure and structural transformation of nanoparticles. Extraction of analytical information about the three-dimensional structure and dynamics of metal–metal bonds from EXAFS spectra requires special care due to their markedly non-bulk-like character. In recent decades, significant progress has been made in the first-principles modeling of structure and properties of nanoparticles. In this review, we summarize new approaches for EXAFS data analysis that incorporate particle structure modeling into the process of structural refinement.

Keyword(s): density functional theory, EXAFS, molecular dynamics, nanoparticles, reverse Monte Carlo, structure, X-ray absorption spectroscopy
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/content/journals/10.1146/annurev-anchem-061318-114929
2019-06-12
2024-04-19
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/content/journals/10.1146/annurev-anchem-061318-114929
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Solving the Structure and Dynamics of Metal Nanoparticles by Combining X-Ray Absorption Fine Structure Spectroscopy and Atomistic Structure Simulations
Annual Review of Analytical Chemistry 12, 501 (2019); https://doi.org/10.1146/annurev-anchem-061318-114929
/content/journals/10.1146/annurev-anchem-061318-114929
/content/journals/10.1146/annurev-anchem-061318-114929
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