Understanding the electrochemical reaction mechanisms of precious metals Au and Ru as cathode catalysts in Li–CO 2 batteries

The electrochemical reaction mechanisms of Au and Ru as cathode catalysts in Li–CO 2 batteries are firstly studied by first-principles density functional theory (DFT) calculations. During the discharge process, the free energy changes of different intermediates during the nucleation processes of lit...

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Veröffentlicht in:	Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2022-07, Vol.10 (26), p.14028-14040
Hauptverfasser:	Hu, Jian, Yang, Chao, Guo, Kunkun
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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