Furfural adsorption on V2O5 surface: A combined experimental-theoretical study
Abstract
The 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.
Más información
Título según WOS: | ID WOS:001237130400001 Not found in local WOS DB |
Título de la Revista: | CHEMICAL PHYSICS LETTERS |
Volumen: | 845 |
Editorial: | Elsevier |
Fecha de publicación: | 2024 |
DOI: |
10.1016/j.cplett.2024.141288 |
Notas: | ISI |