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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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Bibliografiset tiedot
Julkaisussa:ACS Omega
Päätekijä: Shi, Yun
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: American Chemical Society 2020
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC7393643/
https://ncbi.nlm.nih.gov/pubmed/32743178
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c01483
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