PdPtCoreShellNanoparticles

This repository contains the code and data for the following paper:

Probing the atomically diffuse interfaces in core-shell nanoparticles in three dimensions

Zezhou Li^1,2, Zhiheng Xie^1,2, Yao Zhang^1,2, Xilong Mu^1,2, Jisheng Xie^1,2, Haijing Yin¹, Ya-wen Zhang¹, Colin Ophus³, Jihan Zhou^1,2†

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

²Center for Integrated Spectroscopy, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China.

³National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

†Correspondence and requests for materials should be addressed to J. Z. (email: jhzhou@pku.edu.cn).

Repositary Contents

1. Experiment Data

Folder: Measured_data

This folder contains denoised and aligned ADF-STEM projections and corresponding finalized tilt angles for three Pd@Pt core-shell nanoparticles. Three particles are named PB (pentagonal bipyramid shaped), EPB (elongated pentagonal bipyramid shaped) and TO (truncated octahedron shaped), respectively.

2. Reconstructed 3D Volume

Folder: Final_reconstruction_volume

This folder contains 3D tomographic reconstruction volumes of three particles. For the source code of RESIRE algorithm used in these reconstructions, please see the source code of Yao Yang's paper on github.

3. Atom Tracing and Classification

Folder: Tracing_and_classification

This folder contains the source code to trace and classify atoms in the 3D volume.

4. Experimental Atomic Models

Folder: Final_coordinates

This folder contains the final coordinates of three nanoparticles.

5. Analysis of core-shell interface and others

Folder: Analysis_of_interface

This folder contains the codes to analyse the pair distribution function (PDF), the core-shell interface, the local coordination structure (PTM), the displacement and strain map of three nanoparticles.