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Exploring the Reaction Mechanisms of Furfural Hydrodeoxygenation on a CuNiCu(111) Bimetallic Catalyst Surface from Computation
[Image: see text] In this study, the selectively catalytic hydrodeoxygenation of furfural (F–CHO) to 2-methylfuran (F–CH(3)) on the CuNiCu(111) bimetallic catalyst surface was systematically investigated based on the periodic density functional theory, including dispersion correction. The formation...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7393643/ https://www.ncbi.nlm.nih.gov/pubmed/32743178 http://dx.doi.org/10.1021/acsomega.0c01483 |