Data for: Density functional calculations of graphene-based humidity and carbon dioxide sensors: effect of silica and sapphire substrates

Published: 22 Jun 2017 | Version 1 | DOI: 10.17632/gsyrfk5vrp.1
Contributor(s):

Description of this data

Here comes the structure files for the three systems used in the paper, easily visualised using xCrysden and are convertible to any DFT code's input file.

system1_CO2.xsf -- XCrySDen Structure File for system 1 with CO2 adsorbate.
system1_H2O.xsf -- XCrySDen Structure File for system 1 with H2O adsorbate.
system2_CO2.xsf -- XCrySDen Structure File for system 2 with CO2 adsorbate.
system2_H2O.xsf -- XCrySDen Structure File for system 2 with H2O adsorbate.
system3_CO2.xsf -- XCrySDen Structure File for system 3 with CO2 adsorbate.
system3_H2O.xsf -- XCrySDen Structure File for system 3 with H2O adsorbate.

Experiment data files

This data is associated with the following publication:

Density functional calculations of graphene-based humidity and carbon dioxide sensors: effect of silica and sapphire substrates

Published in: Surface Science

Latest version

  • Version 1

    2017-06-22

    Published: 2017-06-22

    DOI: 10.17632/gsyrfk5vrp.1

    Cite this dataset

    Elgammal, Karim; Delin, Anna (2017), “Data for: Density functional calculations of graphene-based humidity and carbon dioxide sensors: effect of silica and sapphire substrates”, Mendeley Data, v1 http://dx.doi.org/10.17632/gsyrfk5vrp.1

Statistics

Views: 59
Downloads: 15

Categories

File Structure

Licence

CC BY 4.0 Learn more

The files associated with this dataset are licensed under a Creative Commons Attribution 4.0 International licence.

What does this mean?

This dataset is licensed under a Creative Commons Attribution 4.0 International licence. What does this mean? You can share, copy and modify this dataset so long as you give appropriate credit, provide a link to the CC BY license, and indicate if changes were made, but you may not do so in a way that suggests the rights holder has endorsed you or your use of the dataset. Note that further permission may be required for any content within the dataset that is identified as belonging to a third party.

Report