Hydrogen thermal desorption spectra: insights from molecular simulation

Claudia Prosenjak1, Ana-Maria Banu, Alistair D Gellan

  • 1Institute for Materials and Processes, School of Engineering, The University of Edinburgh, Edinburgh, UK EH9 3JL.

Summary

Molecular simulations of metal-organic frameworks reveal key insights into hydrogen adsorption. Careful force field selection is crucial for accurately predicting thermal desorption spectra and understanding adsorption sites.

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