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

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YHR_Chemical Physics Letters_2024.pdf (3.13 MB)
Date
2024-06-16
Authors
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https://orcid.org/0000-0002-1391-435X
Journal Title
Journal ISSN
Volume Title
Publisher
Elsevier
item.page.isbn
item.page.issn
0009-2614
item.page.issne
1873-4448
item.page.doiurl
https://doi.org/10.1016/j.cplett.2024.141288
URI
http://hdl.handle.net/20.500.12254/3772
Abstract
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.
Description
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Citation
Chemical Physics Letters, Vol 845, N° 141288, (2024) p.1-6
Keywords
DFT, V2O5, Furfural, Adsorption, In situ DRIFTS
item.page.dc.rights
Atribución-NoComercial-CompartirIgual 3.0 Chile (CC BY-NC-SA 3.0 CL)
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http://creativecommons.org/licenses/by-nc-sa/3.0/cl/
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