Authors
Kwang Taeg Rim, Daejin Eom, Siu-Wai Chan, Maria Flytzani-Stephanopoulos, George W Flynn, Xiao-Dong Wen, Enrique R Batista
Publication date
2012/11/21
Journal
Journal of the American Chemical Society
Volume
134
Issue
46
Pages
18979-18985
Publisher
American Chemical Society
Description
The reduced surface of a natural Hematite single crystal α-Fe2O3(0001) sample has multiple surface domains with different terminations, Fe2O3(0001), FeO(111), and Fe3O4(111). The adsorption of water on this surface was investigated via Scanning Tunneling Microscopy (STM) and first-principle theoretical simulations. Water species are observed only on the Fe-terminated Fe3O4(111) surface at temperatures up to 235 K. Between 235 and 245 K we observed a change in the surface species from intact water molecules and hydroxyl groups bound to the surface to only hydroxyl groups atop the surface terminating FeIII cations. This indicates a low energy barrier for water dissociation on the surface of Fe3O4 that is supported by our theoretical computations. Our first principles simulations confirm the identity of the surface species proposed from the STM images, finding that the most stable state of a water molecule …
Total citations
201320142015201620172018201920202021202220232024511111310128106452
Scholar articles
KT Rim, D Eom, SW Chan, M Flytzani-Stephanopoulos… - Journal of the American Chemical Society, 2012