Furfural adsorption on V2O5 surface: A combined experimental-theoretical study

Simple item page
dc.contributor.authorLizana, Ignacio
dc.contributor.authorSchott, Eduardo
dc.contributor.authorSaavedra-Torres, Mario
dc.contributor.authorHidalgo-Rosa, Yoan
dc.contributor.authorPecchi, Gina
dc.contributor.authorKarelovic, Alejandro
dc.contributor.authorZarate, Ximena
dc.date.accessioned2025-01-20T16:16:56Z
dc.date.available2025-01-20T16:16:56Z
dc.date.issued2024
dc.description.abstractThe adsorption of furfural on the V 2 O 5 surface was investigated using experimental and theoretical methods. In situ Diffuse Reflectance Infrared Fourier-Transform Spectroscopy results show the presence of physi- and chemisorption phenomena, where trans -furfural is mostly chemisorbed at the beginning of the adsorption process. These results are in agreement with theoretical DFT results, as the most thermodynamically favored configurations corresponds to the chemisorbed trans -furfural (T1) and cis -furfural (C1) with binding energies of -1.83 and -2.05 eV.
dc.fuente.origenWOS
dc.identifier.doi10.1016/j.cplett.2024.141288
dc.identifier.eissn1873-4448
dc.identifier.issn0009-2614
dc.identifier.urihttps://doi.org/10.1016/j.cplett.2024.141288
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/90572
dc.identifier.wosidWOS:001237130400001
dc.language.isoen
dc.revistaChemical physics letters
dc.rightsacceso restringido
dc.subjectFurfural
dc.subjectAdsorption
dc.subjectIn situ DRIFTS
dc.subjectDFT
dc.subject.ods12 Responsible Consumption and Production
dc.subject.odspa12 Producción y consumo responsable
dc.titleFurfural adsorption on V2O5 surface: A combined experimental-theoretical study
dc.typeartículo
dc.volumen845
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
Files
Collections
Artículos de revistas