| Abstract |
The direct conversion of syngas to ethanol faces challenges due to catalyst inefficiencies and low ethanol yield. Bulk alloys with an appropriate atomic ratio can exhibit excellent catalytic performance. In this work, a series of RhxNiy(111) with different Rh/Ni ratios was rationally designed, and the ethanol preparation from syngas was explored based on density functional theory (DFT) calculation and microkinetic analysis. The results show that Rh1Ni1(111) was screened out to show optimum catalytic performance for ethanol production. This was attributed to a moderate quantity of charge transfer from Ni to Rh atoms, and a medium distance from the d-band center to the Fermi level. Further, to verify the catalytic performance of the catalysts at a Rh: Ni ratio of 1: 1, 1Rh1Ni/γ-Al2O3 catalyst was prepared and its catalytic performance for ethanol preparation from syngas was investigated by comparing it with that of Rh/γ-Al2O3 and Ni/γ-Al2O3. The catalytic performance of 1Rh1Ni/γ-Al2O3 has been further confirmed to be preferred over Rh/γ-Al2O3 and Ni/γ-Al2O3, achieving a 23.0 % CO conversion rate with 31.2 % ethanol selectivity. |
| Authors |
Jingjing Zhang  , Yang Feng , Lixia Ling , Caiping Ma , Jungang Wang , Riguang Zhang , Maohong Fan  , Bo Hou , Debao Li , Baojun Wang
|
| Journal Info |
Elsevier BV | Molecular Catalysis , vol: 560
, pages: 114124 - 114124
|
| Publication Date |
5/1/2024 |
| ISSN |
2468-8231 |
Type |
article |
| Open Access |
closed
|
| DOI |
https://doi.org/10.1016/j.mcat.2024.114124 |
| Keywords |
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