Computational and experimental identification of strong synergy of the Fe/ZnO catalyst in promoting acetic acid synthesis from CH4 and CO2
发布时间：2020-04-09
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- 论文类型：
- 期刊论文
- 发表时间：
- 2020-03-10
- 发表刊物：
- Chemical communications (Cambridge, England)
- 收录刊物：
- PubMed
- 文献类型：
- J
- ISSN号：
- 1364-548X
- 摘要：
- DFT calculations have identified reaction pathways for acetic acid synthesis from CO2 and CH4 on ZnO, Cu/ZnO and Fe/ZnO surfaces. Fe/ZnO exhibits strong synergy in facilitating CH4 activation, dissociation and C-C coupling. Thus, the surface acetate formation is significantly enhanced. The DFT predictions have been confirmed by in situ DRIFTS experiments.
- 第一作者
- Nie Xiaowa
- 合写作者
- Guo Xinwen,Chen Jingguang G,Ren Xianxuan,Tu Chunyan,Song Chunshan