Published January 24, 2025 | Version 1
Dataset Open

Effect of Particle Size and Alloying with Gallium and Zinc in Copper Nanoparticles from Ab Initio Molecular Dynamics

Authors/Creators

  • 1. ROR icon ETH Zurich
  • 2. ROR icon Universitat Autònoma de Barcelona
  • 3. ROR icon TU Wien

Description

Dataset from our paper "Effect of Particle Size and Alloying with Gallium and Zinc in Copper Nanoparticles from Ab Initio Molecular Dynamics". They correspond to the textual output CP2K files of the type: file-pos.xyz, file-vel.xyz, frc.xyz. All are raw data and human-readable.

Files

Dataset-Zenodo.zip

Files (333.0 MB)

Name Size
md5:ba8a17fd04fed7566f6a4f3ed4a0c06b
333.0 MB Preview Download

Additional details

Identifiers

DOI
10.1002/hlca.202400124

Related works

Is supplement to
Peer review: 10.1002/hlca.202400124 (DOI)

Funding

Swiss National Science Foundation
Sinergia CRSII5_183495
Innosuisse – Swiss Innovation Agency
Flagship Program CO2NVERT - PFFS-21-50
Ministerio de Ciencia, Innovación y Universidades
Generación de Conocimiento PID2021-128416NB-I00
FWF Austrian Science Fund
Einzelprojekte 10.55776/PAT3175423

Dates

Submitted
2025-01-23