Teitl: Mechanistic study of the hydrazine decomposition on Ir(111) - data

Dyfyniad
Lu X, Francis S, Motta D, et al. (2020). Mechanistic study of the hydrazine decomposition on Ir(111) - data. Cardiff University. http://doi.org/10.17035/d.2019.0087115515


Hawliau Mynediad: Darperir Data dan drwydded Creative Commons Attribution (CC BY 4.0)
Dull Mynediad: I anfon cais i gael y data hwn, ebostiwch opendata@caerdydd.ac.uk

Manylion y Set Ddata
Cyhoeddwr: Cardiff University
Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd: 2020
Dyddiad dechrau creu'r data: 01.11.2019
Dyddiad gorffen creu'r data: 01.11.2020
Fformat y data: .xlsx, .docx
Meddalwedd ofynnol: Office.
Amcangyfrif o gyfanswm maint storio'r set ddata: Llai na 100 megabeit
Nifer y ffeiliau yn y set ddata: 5
DOI: 10.17035/d.2019.0087115515

Disgrifiad

The dataset contains the information regarding absolute energies (including exchange–correlation energy, and reaction energy) of all the structures as obtained from the VASP software package according to the set parameters described in the computational model section in the published paper. The data set contains also values derived from these absolute energies which led to the publication conclusions.

Research results based upon these data are published at http://doi.org/10.1039/c9cp06525c



Allweddeiriau

Density functional theory, Hydrogen, Hydrogen production, Surface science

Prosiectau Cysylltiedig

Diweddarwyd y tro diwethaf ar 2021-27-01 am 15:26