To enhance the large-scale manufacture of zinc-air batteries (ZAB) and direct methanol fuel cells (DMFC), high-performance oxygen reduction reaction (ORR) catalysts must be developed. In this study, corn stalk binder (CS binder) was added to corn stalk (CS), the ratio between the two was adjusted, and the structure and morphology of the carbon material was altered to create a biocarbon substrate material (15 wt% N/C (CS)) with ORR catalytic activity. It had a half-wave potential (E) that was 29 mV greater than the pure carbon substance from CS (0 wt% N/C(CS)). Using Fe and N coordination-Hemin, an iron single-atom catalyst (15 wt% FeN/C (CS)) was created based on this. Commercial Pt/C catalysts are anticipated to be replaced by the 15 wt% FeN/C (CS), which demonstrated exceptional peak power density in both DMFC and ZAB cell tests. The catalytic mechanism of 15 wt% FeN/C (CS) is explained by density functional theory (DFT), whereby the 15 wt% N/C (CS) carbon substrate rich in faulty structures creates space for the effective use of the iron single-atom reactive sites. Furthermore, the FeN sites reduced the overpotential of ORR, which promoted the adsorption and reduction of oxygen molecules at the active sites.

中文翻译：

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基于天然玉米秸秆粘合剂/玉米秸秆生物质复合材料制备用于DMFC和ZAB阴极ORR催化剂的Fe单原子碳材料

为了促进锌空气电池（ZAB）和直接甲醇燃料电池（DMFC）的大规模生产，必须开发高性能氧还原反应（ORR）催化剂。本研究将玉米秸秆粘结剂（CS粘结剂）添加到玉米秸秆（CS）中，调整两者的比例，改变碳材料的结构和形貌，制备出生物碳基质材料（15 wt% N /C(CS))具有ORR催化活性。它的半波电位 (E) 比 CS 的纯碳物质 (0 wt% N/C(CS)) 高 29 mV。在此基础上，利用Fe和N配位-氯化血红素，制备了铁单原子催化剂（15 wt% FeN/C（CS））。商业 Pt/C 催化剂预计将被 15 wt% FeN/C (CS) 取代，该催化剂在 DMFC 和 ZAB 电池测试中均表现出卓越的峰值功率密度。密度泛函理论（DFT）解释了 15 wt% FeN/C (CS) 的催化机理，其中富含缺陷结构的 15 wt% N/C (CS) 碳基质为铁单质的有效利用创造了空间-原子反应位点。此外，FeN位点降低了ORR的过电势，促进了活性位点氧分子的吸附和还原。