| Title: |
Controlled selectivity for ethanol steam reforming reaction over doped CeO2 surfaces: The role of gallium |
| Authors: |
Vecchietti, María Julia; Lustemberg, Pablo German; Fornero, Esteban Luis; Calatayud, Mónica; Collins, Sebastián Enrique; Mohr, Susanne; Ganduglia-Pirovano, M. Verónica; Libuda, Jörg; Bonivardi, Adrian L. |
| Publisher Information: |
Elsevier Science |
| Collection: |
CONICET Digital (Consejo Nacional de Investigaciones Científicas y Técnicas) |
| Subject Terms: |
BIOETHANOL; HYDROGEN PRODUCTION; GALLIA; DEACTIVATION; COKE PRECURSORS; https://purl.org/becyt/ford/2.4; https://purl.org/becyt/ford/2 |
| Description: |
The ethanol steam reforming reaction, together with the adsorption and decomposition of ethanol was studied on CeO2 and gallium-doped ceria (CeGaOx) by a combined experimental and theoretical approach using infrared spectroscopy (IR), mass spectrometry (MS) and density functional theory (DFT) calculations. At 100°C, different types of monodentate ethoxy species were identified as standing-up (SU) on Ce4+ and lying-down (LD) on Ce4+ and Ga3+, with the alkyl chain more perpendicular or parallel to the surface, respectively. It is suggested that the incorporation of Ga into the ceria lattice changes the decomposition pathway of LD species, which converts to acetate instead of ethylene, attributed to the increased lattice oxygen lability in the CeOGa interface upon doping and the propensity to form GaH surface species. Under ethanol steam reforming conditions, Ga doping of ceria-based materials has a drastic effect by improving the H2:CO2 ratio, changing the product distribution and reducing coke formation. ; Fil: Vecchietti, María Julia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina ; Fil: Lustemberg, Pablo German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina ; Fil: Fornero, Esteban Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina ; Fil: Calatayud, Mónica. Sorbonne Université, Laboratoire de Chimie Théorique; Francia ; Fil: Collins, Sebastián Enrique. Consejo Nacional de ... |
| Document Type: |
article in journal/newspaper |
| File Description: |
application/pdf |
| Language: |
English |
| Relation: |
info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S092633732030518X; https://hdl.handle.net/11336/108642; CONICET Digital; CONICET |
| Availability: |
https://hdl.handle.net/11336/108642 |
| Rights: |
info:eu-repo/semantics/restrictedAccess ; https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
| Accession Number: |
edsbas.46CF7CE0 |
| Database: |
BASE |