In-depth Understanding of Catalytic Activation of Carbon Dioxide for Value-added Products

深入了解二氧化碳催化活化增值产品

• 批准号: RGPIN-2017-06429
• 负责人: Wang, Hui
• 金额: $ 1.75万
• 依托单位: University of Saskatchewan
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2019
• 资助国家: 加拿大
• 起止时间: 2019-01-01 至 2020-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=679787
• 关键词: depth; Understanding; Catalytic; Activation; Carbon

In the foreseeable future, the use of fossil fuels for energy is inevitable and so is the emission of carbon dioxide (CO2) from it. To avoid the predicted climate change from the increase of CO2 concentration in the atmosphere, in addition to the technologies of CO2 capture and storage (CCS), which are passive from a strategic point of view, conversion of the emitted CO2 into useful and value-added chemicals or products (CO2 capture and utilization or CCU in short) is inherently important, and catalyst development for CO2 conversion plays a vital role in these technology advances. Building on the successful research and development of a catalyst for CO2 reforming of methane (CH4), this proposed research program focuses on the understanding of the mechanisms of C-O bond breakage and C-H bond formation in catalytic conversion of CO2, aiming to extend fundamental knowledge of catalyst structures that is necessary to the development of new and powerful catalysts for CO2 conversion to achieve desired CO2 utilization.******The methodology includes using the atomic layer deposition (ALD) method to prepare the model catalysts with known and uniform structures and using advanced instrumental characterization such as in situ and/or operando spectroscopic characterizations at the Canadian Light Source (CLS) for the catalytic mechanism studies. Density functional theory (DFT) calculations will also be used to help confirm the understanding. The short-term objectives of this program are to establish the relationship between the catalyst structures and catalytic performance on C-O bond breakage in CO2 reforming of CH4 reaction system and on C-H bond formation in CO2 hydrogenation for methanol. The long-term goal is to understand the catalyst structures of the complex, natural CO2 conversion processes such as photosynthesis and mimic the natural catalytic processes for CO2 utilization. The highly qualified personnel (HQP) training plan in the proposed research program includes PhD and MSc students in the fields of catalyst preparation using ALD technology and catalytic mechanism studies with CLS synchrotron technologies as well as the DFT calculations.

在可预见的未来，使用化石燃料作为能源是不可避免的，由此排放的二氧化碳(CO2)也是不可避免的。为了避免因大气中二氧化碳浓度的增加而预测的气候变化，除了从战略角度看是被动的二氧化碳捕获和储存(CCS)技术外，将排放的二氧化碳转化为有用的、有价值的化学品或产品(简称CCU)具有内在的重要性，而二氧化碳转化催化剂的开发在这些技术进步中起着至关重要的作用。在成功研发甲烷(CH4)二氧化碳重整催化剂的基础上，本研究计划的重点是了解二氧化碳催化转化过程中C-O键断裂和C-H键形成的机理。*方法包括使用原子层沉积(ALD)方法制备具有已知和均匀结构的模型催化剂，并使用先进的仪器表征手段，如在加拿大光源(CLS)上的原位和/或操纵道光谱表征，用于催化机理研究。密度泛函理论(DFT)计算也将被用来帮助证实这一理解。该计划的短期目标是建立催化剂结构与CH4反应体系CO2重整C-O键断裂和CO2加氢甲醇C-H键形成的催化性能之间的关系。长期目标是了解复杂的自然二氧化碳转化过程(如光合作用)的催化剂结构，并模拟二氧化碳利用的自然催化过程。在拟议的研究计划中，高素质人才(HQP)培训计划包括使用ALD技术制备催化剂和使用CLS同步加速器技术进行催化机理研究以及DFT计算领域的博士和硕士学生。