纳米团簇
材料科学
碳化物
密度泛函理论
碳纤维
碳化
星团(航天器)
二氧化碳
吸附
化学工程
可逆氢电极
电极
纳米技术
物理化学
电化学
冶金
计算化学
复合材料
有机化学
参比电极
扫描电子显微镜
化学
复合数
计算机科学
工程类
程序设计语言
作者
Jianwei Su,Dianhui Pan,Dong Yan,Yangyuan Zhang,Yulong Tang,Jian Sun,Linjuan Zhang,Ziqi Tian,Liang Chen
标识
DOI:10.1002/aenm.202204391
摘要
Abstract Normally, the CO 2 reduction reaction (CO 2 RR) on Fe‐based materials is unfavorable due to the poisoning of reaction sites by CO products. By modulating the electronic structures of Fe sites via carbonization, the CO binding strength can be optimized to facilitate the CO 2 RR. In the present study, a dual N‐elimination strategy is adopted to synthesize and stabilize a rarely reported iron carbide phase Fe 2 C nanoclusters with a mean diameter of 1.07 nm trapped in topological carbon defects. Notably, the ultrafine Fe 2 C clusters present an excellent performance on electrocatalytic CO 2 RR, which can drive a current density of 8.53 mA cm −2 with Faradaic efficiency of 97.1% for CO production at −0.7 V versus reversible hydrogen electrode. Density functional theory calculations reveal that the nanometric Fe 2 C cluster possesses much weaker binding with CO than the Fe crystalline surfaces and other iron carbides, thus promoting the CO desorption and overall CO 2 RR process.
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