进化的新分子电催化剂:M3N@C2 (2n=68,78,和80) 的催化活性
Alain R Puente Santiago1, Mohamed Fathi Sanad1,2, Antonio Moreno-Vicente3
1Department of Chemistry, University of Texas at El Paso, 500 West University Avenue, El Paso, Texas 79968, United States.
Journal of the American Chemical Society
|April 6, 2021
概括
这项研究探讨了进化反应 (HER) 的内体. Sc3N@D3(6140)-C68显示出优异的催化活性和稳定性,突出了化五角形环作为一个有前途的图案.
科学领域:
- 材料科学
- 电化学
- 纳米技术
背景情况:
- 体富勒烯是具有演化反应 (HER) 预测电催化性质的0D纳米材料.
- 它们在现实电化学环境中的性能缺乏实验验证.
研究的目的:
- 通过实验评估七个M3N@2n富勒烯的HER电催化行为.
- 确定生产的最有效的烯结构.
- 阐明具有较高催化活性的结构特征.
主要方法:
- M3N@2n富勒的合成和表征 (2n = 68,78,80).
- 电化学测量包括发病潜力,质量活性和稳定性测试.
- 用密度函数理论 (DFT) 计算来理解催化机制.
主要成果:
- 非IPR的Sc3N@D3(6140)-C68表现出最好的HER性能.
- 在0.4V与RHE相比,达到38mV的发作电位和1.75A·mg-1的质活性.
- 显示出优异的电化学稳定性,在24小时后保持96%的电流.
结论:
- Sc3N@D3(6140)-C68是HER的一个非常有前途的电催化剂.
- 富勒中的化五角环代表了生成的新且有效的催化动机.
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