Article ID Journal Published Year Pages File Type
5422488 Surface Science 2013 31 Pages PDF
Abstract
► DFT study O2, H2O and H interaction with (0001) Fe2O3 surfaces. ► Formation of peroxio species by oxygen adsorption on Fe Lewis center. ► Surface reduction by H2 induces large reconstructions.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A DFT study of the hematite surface state in the presence of H2, H2O and O2
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