Published July 24, 2026 | Version v1
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Interfacial Desolvation Is an Equilibrium Cost, Not a Kinetic Barrier, for Small-Molecule Adsorption on Pristine Graphene from Water

Authors/Creators

  • 1. ROR icon Adamson University

Description

Umbrella-sampling MD and mass-transfer regime-map code and data testing whether interfacial desolvation rate-limits small-molecule adsorption on pristine graphene from water.

Files

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Additional details

Funding

National Research Council of the Philippines
Young Scientist Research Grant YSRG-007