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

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DataCite Commons2025-07-01 更新2026-05-06 收录
下载链接:
https://repository.tugraz.at/doi/10.3217/h6b83-h7894
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资源简介:
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).
提供机构:
Graz University of Technology
创建时间:
2025-07-01
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