Sims, JJ;
Hamou, CAO;
Reocreux, R;
Michel, C;
Giorgi, JB;
(2018)
Adsorption and Decomposition of Formic Acid on Cobalt(0001).
The Journal of Physical Chemistry C
, 122
(35)
pp. 20279-20288.
10.1021/acs.jpcc.8b04751.
Preview |
Text
HCOOH.pdf - Accepted Version Download (1MB) | Preview |
Abstract
Formic acid can undergo dehydration or dehydrogenation with variable selectivity over a range of metal catalysts. The selectivity among these reactions depends on the reaction mechanism and reaction conditions pertinent on each surface. This work provides mechanistic insight into the decomposition of formic acid on cobalt at high- and low-temperature regimes. The adsorption and decomposition of formic acid on a Co(0001) single crystal was studied in ultrahigh vacuum by X-ray photoelectron spectroscopy and temperature-programmed desorption. Insight is provided using density functional theory calculations. In the low-temperature regime, formic acid adsorbs molecularly on the surface at 130 K. Partial decomposition produces CO at 140 K, and at 160 K, the decomposition of formic acid into formate, which is a thermodynamic sink, is dominant. Water can be formed at low temperature via bimolecular processes. At high temperature (>400 K), the similar barriers for decomposition of the formate species lead to the concomitant production of CO, CO_{2}, and H_{2}. The correlation between experiment and theory provides a framework for the interpretation of surface species and reaction path operating in different regimes.
| Type: | Article |
|---|---|
| Title: | Adsorption and Decomposition of Formic Acid on Cobalt(0001) |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpcc.8b04751 |
| Publisher version: | https://doi.org/10.1021/acs.jpcc.8b04751 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions. |
| Keywords: | Organic acids, Desorption, Oxides, Organic reactions, Chemical reactions |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10114283 |
Archive Staff Only
 |
View Item |
