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A DFT study of the hematite surface state in the presence of H2, H2O and O2

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Outgoing claims: the papers this work cites, builds on, or argues with.

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The oxidation behaviour of metals and alloys at high temperatures in atmospheres containing water vapour: A review
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The removal of carbon monoxide by iron oxide nanoparticles
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First-Principles Study of Photoinduced Water-Splitting on Fe 2 O 3
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Surface Structure and Environment-Dependent Hydroxylation of the Nonpolar Hematite (100) from Density Functional Theory Modeling
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An integrated surface science approach towards metal oxide catalysis
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inferredcites →https://doi.org/10.1103/physrevb.69.165107openalex-snapshot
First-principles calculation of the structure and magnetic phases of hematite
inferredcites →https://doi.org/10.1103/physrevb.69.195409openalex-snapshot
Ab initio thermodynamics of oxide surfaces: O 2 on Fe 2 O 3 ( 0001 )
inferredcites →https://doi.org/10.1103/physrevb.70.125426openalex-snapshot
Ab initiostudy of the (0001) surfaces of hematite and chromia: Influence of strong electronic correlations
inferredcites →https://doi.org/10.1103/physrevb.75.233406openalex-snapshot
Surface termination of hematite at environmental oxygen pressures: Experimental surface phase diagram
inferredcites →https://doi.org/10.1103/physrevb.79.094113openalex-snapshot
Hybrid density functional theory study of the high-pressure polymorphs of α-Fe2O3 hematite
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.81.1038openalex-snapshot
The Hematite ( α- Fe2O3) (0001) Surface: Evidence for Domains of Distinct Chemistry
inferredcites →https://doi.org/10.1103/physrevlett.94.126101openalex-snapshot
Jahn-Teller Stabilization of a “Polar” Metal Oxide Surface: Fe3O4(001)
inferredcites →https://doi.org/10.1103/physrevlett.94.166101openalex-snapshot
Ferryl ( FeO ) Termination of the Hematite α−Fe2O3(0001) Surface

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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