CNT 表面官能团对电催化活性的影响

碳酰肼作为肼的衍生物之一，有潜力成为燃料电池的燃料。碳纳米管(CNTs)作为优异的碳酰肼电催化催化剂，其缺陷和官能团在反应中的作用尚不清楚。在项目的支持下，结合理论计算和实验，本工作研究了碳纳米管对碳酰肼电催化性能，并得出羧基的含量对催化活性的影响至关重要结论。本工作主要记录了所制备催化剂的结构表征，半电池性能和计算分析数据，数据采集时间为2019年6月，数据量为82.8MB。Carbohydrazide, one of the hydrazine derivatives, has the potential to act as a fuel for fuel cells. Carbon nanotubes (CNTs) are excellent electrocatalysts for carbohydrazide, but the roles of their defects and functional groups in the electrocatalytic reaction remain unclear. Supported by the project, this work studies the electrocatalytic performance of CNTs towards carbohydrazide by combining theoretical calculations and experimental tests, and concludes that the content of carboxyl groups is critical to the catalytic activity. This work primarily documents the structural characterization data, half-cell performance data and computational analysis data of the as-prepared catalysts. The dataset was collected in June 2019, with a total size of 82.8 MB.

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背景与挑战

背景概述

该数据集研究了碳纳米管表面官能团（特别是羧基含量）对碳酰肼电催化活性的影响，通过理论计算和实验分析催化剂的性能。数据包含结构表征、半电池性能及计算分析结果，采集于2019年6月，总数据量为376.7MB。