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Energy Dispersive X-ray Tomography for 3D Elemental Mapping of Individual Nanoparticles

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Mapping Surface and Subsurface Atomic Structures of Au@Pd Core-Shell Nanoparticles in Three Dimensions.

Yiheng Dai¹, Zhiheng Xie¹, Yao Zhang¹

¹Beijing National Laboratory for Molecular Sciences, Center for Integrated Spectroscopy, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.

|February 20, 2025

Summary

This study reveals how atomic arrangements in gold-palladium (Au@Pd) core-shell nanoparticles affect their properties. Understanding these 3D structures is key to designing advanced nanomaterials.

Keywords:

Au@Pd nanoparticles Au–Pd intermixing atomic resolution at three dimensions atomic-resolution electron tomography surface and subsurface structure mapping

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Area of Science:

Materials Science
Nanotechnology
Surface Science

Background:

3D atomic structures of nanomaterials are vital for structure-functionality correlations.
Resolving these structures at high resolution is challenging due to imaging limitations.

Purpose of the Study:

To determine the 3D atomic surface and subsurface structures of Au@Pd core-shell nanoparticles.
To correlate these structures with electronic and surface chemical properties.

Main Methods:

Atomic-resolution electron tomography (AET) was employed to image nanoparticle structures.
Spectroscopic and electrochemical measurements were used to analyze properties.

Main Results:

Intermixing of gold (Au) and palladium (Pd) significantly influences surface and subsurface structures.
A negative correlation was found between intermixing, bond disorder, and tensile strain.
Varying surface structures correlate with altered electronic and chemical properties at different Au/Pd ratios.

Conclusions:

This work elucidates complex surface/subsurface structures in realistic nanomaterials.
It enhances understanding of single-atom level structure-functionality relationships in nanostructures.