Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Chasvin, Nilda | - |
| dc.creator | Diez, Alejandra | - |
| dc.creator | Pronsato, Maria Estela | - |
| dc.creator | Sedivá, Romana | - |
| dc.creator | Johánek, Viktor | - |
| dc.creator | Volpe, María Alicia | - |
| dc.date | 2018-10-31T14:58:27Z | - |
| dc.date | 2018-10-31T14:58:27Z | - |
| dc.date | 2017-10 | - |
| dc.date | 2018-10-22T18:00:35Z | - |
| dc.date.accessioned | 2019-04-29T15:52:50Z | - |
| dc.date.available | 2019-04-29T15:52:50Z | - |
| dc.date.issued | 2017-10 | - |
| dc.identifier | Chasvin, Nilda; Diez, Alejandra; Pronsato, Maria Estela; Sedivá, Romana; Johánek, Viktor; et al.; Theoretical and experimental study of ethanol adsorption and dissociation on Β-Mo2C surfaces; Elsevier; Molecular Catalysis; 439; 10-2017; 163-170 | - |
| dc.identifier | 2468-8231 | - |
| dc.identifier | http://hdl.handle.net/11336/63360 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/304468 | - |
| dc.description | The adsorption and dissociation of ethanol over molybdenum carbide were studied in the context of the production of H2 from alcohols. A β-Mo2C catalyst was prepared from char and Mo salts. The sample was characterized by N2 sorptometry at 77 K, temperature programmed reaction of H2, X-ray diffraction (applying Rietveld approximation) and X-ray photoelectron spectroscopy for investigating on the catalytic properties of the prepared sample. The catalyst would be active and stable for H2 dissociation at 500–600 K. The value of ethanol adsorption energy was −0.92 eV, as calculated on β-Mo2C (001) surface by means of self-consistent density functional calculations. A transfer of electron density from the surface to adsorbed ethanol was concluded from calculations. Plausible reaction pathways corresponding to ethanol dissociation to ethoxy were theoretically studied by using the Climbing Image Nudged Elastic Band (CI-NEB), which shows and activation energy value of 0.57 eV. | - |
| dc.description | Fil: Chasvin, Nilda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina | - |
| dc.description | Fil: Diez, Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina | - |
| dc.description | Fil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina | - |
| dc.description | Fil: Sedivá, Romana. Charles University; República Checa | - |
| dc.description | Fil: Johánek, Viktor. Charles University; República Checa | - |
| dc.description | Fil: Volpe, María Alicia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Elsevier | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S2468823117303930 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.mcat.2017.07.003 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-nd/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | ETHANOL DISSOCIATION | - |
| dc.subject | MOLYBDENUM CARBIDE | - |
| dc.subject | NUDGED ELASTIC BAND METHOD | - |
| dc.subject | SELF-CONSISTENT DFT | - |
| dc.subject | Astronomía | - |
| dc.subject | Ciencias Físicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Theoretical and experimental study of ethanol adsorption and dissociation on Β-Mo2C surfaces | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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