通过取代基调制电子扰动增强碳缺陷的 ORR 活性

IF 4.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Chemical Communications Pub Date : 2024-11-05 DOI:10.1039/d4cc04721d

Yun Han , Xin Mao , Xuecheng Yan , Qilong Wu , Qingchao Fang , Hanqing Yin , Yi Jia , Qin Li , Xiangdong Yao , Aijun Du

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引用次数: 0

摘要

取代基调节引起的电子扰动可以微调碳缺陷周围的电荷云分布。电子从电子捐赠取代基转移到碳缺陷会导致碳原子的 pz 带中心降低、C-O 键变强、带隙变窄以及轨道分布不对称，从而提高 ORR 的热力学活性和动力学效率。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Enhanced ORR activity of carbon defects via substituent-modulated electronic perturbation†

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Enhanced ORR activity of carbon defects via substituent-modulated electronic perturbation†

Substituent-modulation induced electronic perturbations can fine-tune the charge cloud distribution around carbon defects. The transfer of electrons from electron-donating substituents to carbon defects will lead to lower p_z band center of carbon atoms, stronger C–O bonds, narrower band gaps, and asymmetric orbital distribution, consequently enhancing the ORR thermodynamic activity and kinetic efficiency.

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来源期刊

Chemical Communications 化学-化学综合

CiteScore

8.60

自引率

4.10%

发文量

2705

审稿时长

1.4 months

期刊介绍： ChemComm (Chemical Communications) is renowned as the fastest publisher of articles providing information on new avenues of research, drawn from all the world''s major areas of chemical research.