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

Archivos
YHR_Chemical Physics Letters_2024.pdf (3.13 MB)
Fecha
2024-06-16
Autores
Profe guía
Perfil ORCID
https://orcid.org/0000-0002-1391-435X
Título de la revista
ISSN de la revista
Título del volumen
Editor
Elsevier
ISBN
ISSN
0009-2614
ISSNe
1873-4448
DOI
https://doi.org/10.1016/j.cplett.2024.141288
URI
http://hdl.handle.net/20.500.12254/3772
Resumen
The 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.
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Citación
Chemical Physics Letters, Vol 845, N° 141288, (2024) p.1-6
Palabras clave
DFT, V2O5, Furfural, Adsorption, In situ DRIFTS
Licencia
Atribución-NoComercial-CompartirIgual 3.0 Chile (CC BY-NC-SA 3.0 CL)
Licencia URL
http://creativecommons.org/licenses/by-nc-sa/3.0/cl/
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