UNS:Efficient CO2 Electrochemical Reduction on Transition Metal Dichalcogenide Catalysts

Salehi-Khojin，1512647未来的能源可持续性和温室气体减排都将受益于模仿二氧化碳光合作用转化的人造过程。 电催化就是这样一种方法，但其应用受到成本高和常用贵金属催化剂如银和金的性能不令人满意的限制。 该提案探讨了廉价和地球丰富的材料作为电催化剂将二氧化碳转化为能源丰富的化学品的潜力。 研究者将邀请博士生和少数民族本科生参与这项实验和理论相结合的研究，旨在通过发展可持续的碳循环造福社会。这项研究将通过研究者先前的发现，即过渡金属二硫属化物（TMDCs）在低过氧化氢的情况下减少二氧化碳，从而推进地球丰富的电催化剂设计的知识。潜在的和极高的还原率通过不同的反应驱动力比典型的贵金属催化剂。 这项工作将探索在离子水电解质介质中使用二硫化钼和其他TMDC作为催化剂将二氧化碳还原为合成气的机制和动力学，并通过探索促进具有和不具有插入的主体原子的高活性边缘位点形成的合成技术。 电化学阻抗谱和密度泛函理论计算将用于在分子水平上深入了解二氧化碳还原机制。 为此，该研究将阐明控制新型TMDC催化剂化学性质的关键参数，并能够设计将二氧化碳转化为有用产品的高性能电化学过程。

Salehi-Khojin, 1512647Future energy sustainability and greenhouse gas mitigation would both benefit from man-made processes that mimic the photosynthetic conversion of carbon dioxide. Electrocatalysis is one such approach, but its application has been limited by high cost and unsatisfactory performance of commonly used precious metal catalysts such as silver and gold. This proposal explores the potential of inexpensive and earth-abundant materials as electocatalysts for converting carbon dioxide to energy-rich chemicals. The investigator will engage both PhD students and undergraduate minority students in this combined experimental and theoretical study aimed at benefiting society through the development of a sustainable carbon cycle.The study will advance knowledge in the design of earth-abundant electrocatalysts by building on the investigator's previous discovery that transition metal dichalcogenides (TMDCs) reduce carbon dioxide at low over-potential and extremely high reduction rate via different reaction driving forces than typical of precious metal catalysts. The work will explore the mechanism and kinetics of carbon dioxide reduction to synthesis gas in ionic aqueous electrolyte media using molybdenum disulfide and other TMDCs as catalysts, and by exploring synthesis techniques that promote formation of highly active edge sites both with and without inserted host atoms. Electrochemical impedance spectroscopy and density functional theory calculations will be used to gain in-depth understanding of the carbon dioxide reduction mechanism at the molecular level. To this end, the study will elucidate the key parameters that govern the chemistry of the new TMDC catalysts and enable the design of high-performance electrochemical processes for converting carbon dioxide to useful products.