Determination of the Conformational Preference of para-Aminobenzoic Acid on Vanadium Pentoxide Surface: An XPS and DFT Study
Abstract
Self-assembled monolayers are a promising opportunity to control the electrochemical reactions taking place on electrodes of lithium-ion batteries. Such control is relevant to diminish the aging process and to improve the performance of these energy storage devices. From this point of view, the adsorption of para-aminobenzoic acid on vanadium pentoxide, an attractive high-capacity cathode material, is investigated with the combination of experimental angle-resolved X-ray photoelectron spectroscopy as well as dispersion-corrected density functional calculations. Our results show that the molecules prefer a lying-down or up-standing configuration depending on their concentration. The comparison between experiment and simulation indicates a high coverage of the surface and hence the formation of a self-assembled monolayer of up-standing molecules.
Más información
| Título según WOS: | Determination of the Conformational Preference of para-Aminobenzoic Acid on Vanadium Pentoxide Surface: An XPS and DFT Study |
| Título según SCOPUS: | Determination of the Conformational Preference of para-Aminobenzoic Acid on Vanadium Pentoxide Surface: An XPS and DFT Study |
| Título de la Revista: | Journal of Physical Chemistry C |
| Volumen: | 125 |
| Número: | 37 |
| Editorial: | American Chemical Society |
| Fecha de publicación: | 2021 |
| Página final: | 20459 |
| Idioma: | English |
| DOI: |
10.1021/acs.jpcc.1c01774 |
| Notas: | ISI, SCOPUS |