Preparation of phosphorus-doped carbon nanospheres and their electrocatalytic performance for O2 reduction

Ziwu Liu , Feng Peng , Hongjuan Wang , Hao Yu , Wenxu Zheng , Xianyong Wei
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引用次数: 48

Abstract

Phosphorus-doped carbon nanospheres without any metal residues were synthesized and characterized. The results revealed that the doping phosphorus atoms could significantly improve the electrocatalytic activity of graphitic carbon for the oxygen-reduction reaction (ORR) both in acidic and alkaline media, and the materials exhibited high electrocatalytic activity, long-term stability, and excellent tolerance to crossover effects especially in alkaline media. Quantum mechanics calculations with the density functional theory demonstrated that the changes in charge density and energetic characteristics of frontier orbitals for the P-doped graphene sheet could facilitate the ORR.

掺磷碳纳米球的制备及其氧还原电催化性能研究
合成了不含金属残基的磷掺杂碳纳米球,并对其进行了表征。结果表明,磷原子的掺杂能显著提高石墨碳在酸性和碱性介质中氧还原反应(ORR)的电催化活性,并表现出较高的电催化活性、长期稳定性和对交叉效应的耐受性,尤其是在碱性介质中。基于密度泛函理论的量子力学计算表明,掺杂p的石墨烯片电荷密度和前沿轨道能量特征的变化有利于ORR的发生。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Natural Gas Chemistry
Journal of Natural Gas Chemistry 化学-工程:化工
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