How to Extract Adsorption Energies, Adsorbate-adsorbate Interaction Parameters, and Saturation Coverages from Temperature Programmed Desorption Experiments
2021
We present a simple scheme to
extract the adsorption energy, adsorbate interaction parameter and the saturation
coverage from temperature programmed desorption (TPD) experiments. We propose
that the coverage dependent adsorption energy can be fit using a functional
form including the configurational entropy and linear adsorbate-adsorbate
interaction terms. As one example of this scheme, we analyze TPD spectra of desorption on Au(211) and Au(310) surfaces. We
determine that under atmospheric pressure, the steps of both facets
adsorb between 0.4-0.9 ML coverage of CO*.
We show this result to be consistent with density functional theory
calculations of adsorption energies with the BEEF-vdW functional.
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