Hydrogen Adsorption and Dissociation on Late Transition Metal Doped C24/C2N Heterostructure

Name: Hydrogen Adsorption and Dissociation on Late Transition Metal Doped C24/C2N Heterostructure
Creator: Sidra Latif
Published: 2026-10-02T10:38:55.305Z
Keywords: Molecular Dynamics

Latif, Sidra; Ayub, Khurshid; S.Sheikh, Nadeem; H. Hammud, Hassan; Yar, Muhammad

doi:10.17632/xhzfp4ky9w.1

Hydrogen Adsorption and Dissociation on Late Transition Metal Doped C24/C2N Heterostructure

Published: 2 October 2026| Version 1 | DOI: 10.17632/xhzfp4ky9w.1

Contributors:

Sidra Latif, Khurshid Ayub, Nadeem S.Sheikh, Hassan H. Hammud, Muhammad Yar

Description

The dataset includes molecular structures, force-field parameters, energy-minimized and equilibrated systems, 100 ns molecular dynamics trajectories, simulation outputs, and trajectory-analysis data. The files are organized into separate folders to facilitate reproducibility and reuse of the computational workflow.

Hydrogen Adsorption and Dissociation on Late Transition Metal Doped C24/C2N Heterostructure

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