Nanoparticle (pristine Pt)

Introduction

This example is mainly about adsorption of H atom on the surface of Pt Nanoparticle, contributed by the developers of the project.

Inputs

The content of input file is as follow:

StrucInfo:
  file: Pt43_particle

Model:
  ads:
    - ['H',1]

Pt43_particle is nanoparticle configuration with vasp file formate pre construct by ASE module, In the directory where the yaml file is located, use the command line to enter htmat ads to generate 7 vasp structure files.

Results

7 vasp structure files are generated. The visualization results generated by VESTA are as follow:

Three of these visualizations are shown here