Theoretical Study of the Mechanism for CO2 Hydrogenation to Methanol Catalyzed by trans-RuH2(CO)(dpa)
Abstract
:1. Introduction
2. Results and Discussion
2.1. Hydrogenation of Carbon Dioxide
2.2. Hydrogenation of Formic Acid
2.3. Hydrogenation of Formaldehyde
2.4. The Regeneration of the Catalyst
3. Computational Methods
4. Conclusions
Supplementary Materials
Author Contributions
Acknowledgments
Conflicts of Interest
References
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Heterogeneous Catalysts | Homogeneous Catalysts | |
---|---|---|
Catalysts | Metal/Metallic oxide | Metal complex |
Temperature | 200–300 °C | Most are below 200 °C |
Catalytic activity | Relatively low | Much higher than Heterogeneous |
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Zhou, J.; Huang, L.; Yan, W.; Li, J.; Liu, C.; Lu, X. Theoretical Study of the Mechanism for CO2 Hydrogenation to Methanol Catalyzed by trans-RuH2(CO)(dpa). Catalysts 2018, 8, 244. https://doi.org/10.3390/catal8060244
Zhou J, Huang L, Yan W, Li J, Liu C, Lu X. Theoretical Study of the Mechanism for CO2 Hydrogenation to Methanol Catalyzed by trans-RuH2(CO)(dpa). Catalysts. 2018; 8(6):244. https://doi.org/10.3390/catal8060244
Chicago/Turabian StyleZhou, Jinxia, Liangliang Huang, Wei Yan, Jun Li, Chang Liu, and Xiaohua Lu. 2018. "Theoretical Study of the Mechanism for CO2 Hydrogenation to Methanol Catalyzed by trans-RuH2(CO)(dpa)" Catalysts 8, no. 6: 244. https://doi.org/10.3390/catal8060244