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Adsorption of Aspartic Acid on Ni{100}: A Combined Experimental and Theoretical Study
journal contribution
posted on 2020-08-06, 22:22 authored by Wilson Quevedo, Jorge Ontaneda, Alexander Large, Jake M. Seymour, Roger A. Bennett, Ricardo Grau-Crespo, Georg HeldUnderstanding
the interaction of amino acids with metal surfaces
is essential for the rational design of chiral modifiers able to confer
enantioselectivity to metal catalysts. Here, we present an investigation
of the adsorption of aspartic acid (Asp) on the Ni{100} surface, using
a combination of synchrotron X-ray photoelectron spectroscopy (XPS),
near-edge X-ray absorption fine structure, and density functional
theory simulations. Based on the combined analysis of the experimental
and simulated data, we can identify the dominant mode of adsorption
as a pentadentate configuration with three O atoms at the bridge sites
of the surfaces, and the remaining oxygen atom and the amino nitrogen
are located on atop sites. From temperature-programmed XPS measurements,
it was found that Asp starts decomposing above 400 K, which is significantly
higher than typical decomposition temperatures of smaller organic
molecules on Ni surfaces. Our results offer valuable insights into
understanding the role of Asp as a chiral modifier of nickel catalyst
surfaces in enantioselective hydrogenation reactions.
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nickel catalyst surfacesresults offertheory simulationsAspdecomposition temperaturesadsorptionenantioselective hydrogenation reac...Ni surfacesTheoretical Studybridge sitesoxygen atomchiral modifiersaspartic acidpentadentate configurationsynchrotron X-ray photoelectron spe...O atomsmetal catalyststemperature-programmed XPS measurementsmetal surfaces400 Kchiral modifier
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