Published June 26, 2024
| Version v1
Dataset
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Slip Opacity and Fast Osmotic Transport of Hydrophobes at Aqueous Interfaces with Two-Dimensional Materials, part 1/4
Description
Supplementary data for paper "Slip Opacity and Fast Osmotic Transport of Hydrophobes at Aqueous Interfaces with Two-Dimensional Materials"
Maria Bilichenko, Marcella Iannuzzi, and Gabriele Tocci, ACS Nano, 2024, DOI: 10.1021/acsnano.4c05118
Contents
Trajectories of positions and forces with corresponding input files of systems with 120 water molecules confined between 2D materials:
- graphene/water/graphene
- hBN/water/hBN
- graphene/graphene/water/graphene/graphene
- hBN/hBN/water/hBN/hBN
- graphene/hBN/water/hBN/graphene
- hBN/graphene/water/graphene/hBN
Files
Files
(31.9 GB)
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Additional details
Funding
- Swiss National Science Foundation
- Ab Initio Nanofluidics: Electronic Structure and Transport Properties for Osmotic Energy Conversion PZ00P2_179964
- Partnership for Advanced Computing in Europe
- Nanofluidic water transport for blue energy conversion pr66
Software
- Repository URL
- https://github.com/mariabilichenk0/slip-opacity.git