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Theoretical Study of the Mechanism of Furfural Conversion on the NiCuCu(111) Surface
[Image: see text] The full potential energy surface for the hydrodeoxygenation of furfural to furan and other ring-opening products has been systematically investigated using periodic density functional theory including dispersion corrections (PBE-D3) on the bimetallic NiCuCu(111) surface. For furan...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6812123/ https://www.ncbi.nlm.nih.gov/pubmed/31656917 http://dx.doi.org/10.1021/acsomega.9b02237 |