Published July 11, 2025 | Version v1
Dataset Open

Research data for "Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on Al2O3 Surfaces"

Authors/Creators

  • 1. ROR icon Princeton University
  • 2. Shell India Markets Pvt. Ltd.
  • 3. Shell International Exploration & Production Inc.

Description

This dataset supports the paper "Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on Al2O3 Surfaces".

The following files are provided:

  • The training and validation structures.
  • The training input file.
  • The VASP input files for single-point calculation and ab initio molecular dynamics.
  • The global minimum configurations of Cu nanoparticles on three Al2O3 surfaces.

Files

dataset.zip

Files (746.7 MB)

Name Size
md5:e88745ca2cfd25ef0b152f5fa3ed6bd9
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md5:2a9308f54b666b4653137825d1175226
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md5:9788d7f13403450552e4ad1642c6a478
333.7 kB Preview Download
md5:6fe4f25a0496085c76cd2fddecef4edb
1.8 kB Preview Download