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

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.accessioned2024-06-19T04:47:10Z
dc.date.available2024-06-19T04:47:10Z
dc.date.issued2024
dc.identifier10.1016/j.cplett.2024.141288
dc.identifier.issn00092614
dc.identifier.urihttps://hdl.handle.net/20.500.12728/11353
dc.description.abstractThe adsorption of furfural on the V2O5 surface was investigated using experimental and theoretical methods. In situ Diffuse Reflectance Infrared Fourier-Transform Spectroscopy results show the presence of physi- and chemi-sorption 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. © 2024 Elsevier B.V.es_ES
dc.description.sponsorshipFondo Nacional de Desarrollo Científico y Tecnológico, FONDECYT, (1231194, ANID/FONDAP/ 1523A0006, 1241917, ACT210057, 3230141); Fondo Nacional de Desarrollo Científico y Tecnológico, FONDECYTes_ES
dc.language.isoenes_ES
dc.publisherElsevier B.V.es_ES
dc.subjectAdsorptiones_ES
dc.subjectDFTes_ES
dc.subjectFurfurales_ES
dc.subjectIn situ DRIFTSes_ES
dc.subjectV<sub>2</sub>O<sub>5</sub>es_ES
dc.titleFurfural adsorption on V2O5 surface: A combined experimental-theoretical studyes_ES
dc.typeArticlees_ES


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