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Understanding the Role of Functional Groups in Polymeric Binder for Electrochemical Carbon Dioxide Reduction on Gold Nanoparticles

机译:了解功能基团在金纳米粒子上电化学还原二氧化碳的聚合物粘结剂中的作用

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摘要

Electrochemical CO2 reduction reaction (CO2RR) is one of the promising strategies for converting CO2 to value-added chemicals. Gold (Au) catalysts are considered to be the best benchmarking materials for CO2RR to produce CO. In this work, the role of different functional groups of polymeric binders on CO2RR over Au catalysts is systematically investigated by combined experimental measurements and density functional theory (DFT) calculations. Especially, it is revealed that the functional groups can play a role in suppressing the undesired hydrogen evolution reaction, the main competing reaction against CO2RR, thus enabling more catalytic active sites to be available for CO2RR and enhancing the CO2RR activity. Consistent with the DFT prediction, fluorine (F)-containing functional groups in the F-rich polytetrafluoroethylene binder lead to a high Faradaic efficiency (approximate to 94.7%) of CO production. This study suggests a new strategy by optimizing polymeric binders for the selective CO2RR.
机译:电化学CO2还原反应(CO2RR)是将CO2转化为增值化学品的有前途的策略之一。金(Au)催化剂被认为是CO2RR产生CO的最佳基准材料。在这项工作中,通过结合实验测量和密度泛函理论(DFT),系统地研究了聚合物粘合剂的不同官能团在Au催化剂上对CO2RR的作用。 )计算。特别地,揭示了官能团可以在抑制不希望的氢释放反应中起作用,该氢释放反应是对抗CO 2 RR的主要竞争反应,从而使得更多的催化活性位点可用于CO 2 RR并增强CO 2 RR活性。与DFT预测一致,富F的聚四氟乙烯粘合剂中的含氟(F)官能团导致高的法拉第效率(约94.7%)的CO生产。这项研究提出了一种通过优化用于选择性CO2RR的聚合物粘合剂的新策略。

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