| dc.creator | Zinola Sánchez, Carlos Fernando | |
| dc.creator | Arvia, Alejandro Jorge | |
| dc.date | 1996 | |
| dc.date | 2021-05-11T14:08:12Z | |
| dc.date.accessioned | 2023-07-15T01:40:39Z | |
| dc.date.available | 2023-07-15T01:40:39Z | |
| dc.identifier | http://sedici.unlp.edu.ar/handle/10915/118641 | |
| dc.identifier | issn:0013-4686 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/7459163 | |
| dc.description | Extended Hueckel molecular orbital calculations for the adsorption of H-atoms in a simulated aqueous electrochemical environment on Pt(111) and Pt(100) clusters were made. Different adsorbate configurations were considered. H-atom adsorption on hollow sites coadsorbed with an on top OH-species for Pt(111), and H-atom adsorption on bridge sites for Pt(100) are favoured. At potentials lower than the hydrogen electrode equilibrium potential, H-adatom configurations involving subsurface Pt atoms can also be formed. For both Pt(111) and Pt(100), these structures are probably related to species involved in the H-atom electrosorption and hydrogen evolution reaction. | |
| dc.description | Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas | |
| dc.format | application/pdf | |
| dc.format | 2267-2273 | |
| dc.language | en | |
| dc.rights | http://creativecommons.org/licenses/by-nc-sa/4.0/ | |
| dc.rights | Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) | |
| dc.subject | Ciencias Exactas | |
| dc.subject | Química | |
| dc.subject | Hydrogen | |
| dc.subject | Platinum | |
| dc.subject | Semiempirical methods | |
| dc.title | A semiempirical quantum chemistry approach to possible structures and energies of hydrogen atoms adsorbed on Pt(100) and Pt(111) clusters at a simulated Pt/aqueous electrochemical interface | |
| dc.type | Articulo | |
| dc.type | Articulo | |
