Journal
FUEL
Volume 314, Issue -, Pages -Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.fuel.2021.123035
Keywords
Morphology; Zinc oxide; Oxygen vacancy; CO2 hydrogenation; Methanol
Categories
Funding
- NSFC [22078277]
- Hunan Provincial Natural Science Foundation of China [2021JJ30658, 2020JJ5532]
- Postgraduate Scientific Research Innovation Project of Hunan Province [CX20200641]
- Collaborative Innovation Center of New Chemical Technologies for Environmental Benignity and Efficient Resource Utilization, and Environment-friendly Chemical Process Integration Technology Hunan Province Key laboratory
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Cu/ZnO/ZrO2 catalysts with different ZnO morphologies were prepared and used for CO2 hydrogenation to methanol. The catalyst with flower-like ZnO morphology showed the highest catalytic performance and possess the most oxygen vacancies. The experimental results and DFT calculations suggest that oxygen vacancies play a crucial role in promoting the reaction and reducing the energy barriers.
Cu/ZnO/ZrO2 catalysts with flower, plate, and rod-like ZnO morphologies were prepared by urea hydrolysis method and used for CO2 hydrogenation to methanol. Among these catalysts, Cu/ZnO/ZrO2 with flower-like ZnO (CZZ-flower) exhibits the best catalytic performance (10.7 % yield of methanol and 4.3 mmol(MeOH)/(g(cat).h) STYMeOH). The characterization results show that the CCZ-flower possesses the largest amount of oxygen vacancies. The experimental results reveal that the yield of methanol increases linearly with the increment of oxygen vacancy concentration, suggesting that oxygen vacancy plays an important role in CO2 hydrogenation to methanol. Additionally, the amount of oxygen vacancy can be modulated by changing reduction temperature, reduction time, and reducing gas concentration. It can be seen from DFT (density functional theory) calculations that oxygen vacancy is able to promote CO2 and active hydrogen (H*) adsorption, activate reaction intermediate and reduce the whole energy barriers.
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