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Quantitative structure determination of adsorbed formate and surface hydroxyls on Fe3O4(001)

DOI: 10.1039/D1CP04241F DOI Help

Authors: P. T. P. Ryan (Diamond Light Source; Imperial College London) , D. J. Payne (Imperial College London) , T.-L. Lee (Diamond Light Source) , D. A. Duncan (Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Chemistry Chemical Physics , VOL 7

State: Published (Approved)
Published: December 2021
Diamond Proposal Number(s): 17635

Open Access Open Access

Abstract: Using the chemically specific techniques of normal incidence X-ray standing waves and photoelectron diffraction, we have investigated the dissociative adsorption of formic acid on the Fe3O4(001) surface, specifically probing the local structures of both the adsorbed formate and resulting surface hydroxyl. Using model independent direct methods, we reinforce the observations of a previous surface X-ray diffraction study that the formate molecule adsorbs with both oxygens atop octahedrally coordinated surface Fe cations and that ∼60% of the formate is adsorbed in the so called tet site. We additionally determine, for the first time, that the surface hydroxyl species are found at the so called int site. This confirms previous DFT predictions and reinforces the pivotal role the surface hydroxyl plays in lifting the subsurface cation vacancy termination of the Fe3O4(001) surface.

Subject Areas: Chemistry, Physics, Materials

Instruments: I09-Surface and Interface Structural Analysis

Added On: 16/12/2021 11:24


Discipline Tags:

Surfaces Physics Physical Chemistry Catalysis Chemistry Materials Science Inorganic Chemistry

Technical Tags:

Diffraction Spectroscopy X-ray Standing Wave (XSW) X-ray Photoelectron Spectroscopy (XPS)