Published February 17, 2025 | Version v1
Dataset Open

Data and videos supporting "Single-Molecule Water Motion on h-BN and Graphene: Understanding the Behaviour of Water on 2D Material Interfaces"

Description

Data set containing experimental helium spin-echo data on the adsorption and dynamics of H2O molecules on a Ni-supported hexagonal bornon nitride (h-BN) surface, together with the AIMD simulations, supporting the publication "Single-Molecule Water Motion on h-BN and Graphene: Understanding the Behaviour of Water on 2D Material Interfaces".

Data is stored in MATLAB or plain text files.

A set of 10 vidoes which have been generated from the ab-initio molecular dynamics simulations (as further described in the publication) which illustrate the motion of single water molecules on h-BN/Ni(111).

Files

water_hBN.zip

Files (198.9 MB)

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md5:4600daa4965bd3d5673bcfb8334f96b1
13.0 MB Preview Download
md5:a3873a9422e3942b0998a9cf6d1f0004
13.3 MB Preview Download
md5:381fde1698352badac114dfd0a3a0d7e
13.4 MB Preview Download
md5:5b9c1eb06f23cac7fccc1ab789b5af7c
14.6 MB Preview Download
md5:e811c4bf900f2f751eaf253efcd61759
14.9 MB Preview Download
md5:fd12e4801851d51ee1f7f29b0a1c905b
16.9 MB Preview Download
md5:f43224ab3fa771383b9be1ad093e3e5e
20.2 MB Preview Download
md5:3316d089e212e8a96bd40a076ab6eadc
19.2 MB Preview Download
md5:b5aa07780ec2724a0863b78a98e36bf4
13.9 MB Preview Download
md5:ce23da07e5c84ca7dc822c421df2f7fc
14.2 MB Preview Download
md5:e947cc171390b5ab46f4d0f6951158d1
45.4 MB Preview Download

Additional details

Funding

FWF Austrian Science Fund
Energy Dissipation on Dirac and 2D Material Surfaces P34704