Data for: Robust nanocomposites of α-Fe2O3 and N-doped graphene oxide: Interfacial bonding and chemisorption of H2O

Published: 21 Jun 2019 | Version 1 | DOI: 10.17632/7pdftfr7yp.1
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Description of this data

Relaxed structures of GO with epoxy groups (GO.cif), graphitic nitrogen (GO-graphiticN.cif), and three pyridinic nitrogen surrounding a carbon vacancy (GO-pyridinicN.cif) from Figure 1 in the manuscript.

Relaxed structure of the α-Fe2O3 (0 0 0 1) (Fe2O3-0001.cif) from Figure 2 in the manuscript.

Relaxed structure of the Fe2O3-GO composite (Fe2O3-GO.cif), with graphitic N-doping (Fe2O3-GO-graphiticN.cif) and with pyridinic N-doping (Fe2O3-GO-pyridinicN.cif) from Figure 3 in the manuscript.

Relaxed structures of chemisorbed H2O on the composites with different hydroxide sites (ortho, meta, para) as noted in Table 3 in the manuscript for the different composites. The additional configurations shown in Figure 6 in the manuscript are denoted 2.

Experiment data files

This data is associated with the following publication:

Robust nanocomposites of α-Fe2O3 and N-doped graphene oxide: Interfacial bonding and chemisorption of H2O

Published in: Carbon

Latest version

  • Version 1

    2019-06-21

    Published: 2019-06-21

    DOI: 10.17632/7pdftfr7yp.1

    Cite this dataset

    Polfus, Jonathan M. (2019), “Data for: Robust nanocomposites of α-Fe2O3 and N-doped graphene oxide: Interfacial bonding and chemisorption of H2O”, Mendeley Data, v1 http://dx.doi.org/10.17632/7pdftfr7yp.1

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Composite Materials, Reduced Graphene Oxide

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