Accessibility navigation

Adsorption of aspartic acid on Ni{100}: a combined experimental and theoretical study

Quevedo, W., Ontaneda, J., Large, A., Seymour, J. M., Bennett, R. A. ORCID:, Grau-Crespo, R. ORCID: and Held, G. (2020) Adsorption of aspartic acid on Ni{100}: a combined experimental and theoretical study. Langmuir, 36 (32). pp. 9399-9411. ISSN 0743-7463

Text (Open Access) - Published Version
· Available under License Creative Commons Attribution.
· Please see our End User Agreement before downloading.

[img] Text - Accepted Version
· Restricted to Repository staff only
· The Copyright of this document has not been checked yet. This may affect its availability.


It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing.

To link to this item DOI: 10.1021/acs.langmuir.0c01175


Understanding the interaction of amino acids with metal surfaces is essential for the rational design of chiral modifiers able to confer enantioselectivity to metal catalysts. We present here an investigation of the adsorption of aspartic acid (Asp) on the Ni{100} surface, using a combination of synchrotron X-Ray Photoelectron Spectroscopy (XPS) and Near-Edge X-ray Absorption Fine Structure (NEXAFS), and Density Functional Theory (DFT) 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 for understanding the role of Asp as a chiral modifier of nickel catalyst surfaces for enantioselective hydrogenation reactions.

Item Type:Article
Divisions:Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:91986
Uncontrolled Keywords:aspartic acid, Ni(100), XPS, DFT, enantiomeric catalysis
Publisher:American Chemical Society


Downloads per month over past year

University Staff: Request a correction | Centaur Editors: Update this record

Page navigation