Zhang Chao, Chen Linjie, Zhao Jin, Petek Hrvoje
Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
Department of Chemical Physics, School of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China.
JACS Au. 2025 Sep 5;5(9):4530-4538. doi: 10.1021/jacsau.5c00855. eCollection 2025 Sep 22.
The interaction between K atoms and oxygen molecules on solid surfaces is of topical interest to oxidation-reduction processes in K-O batteries. Alkali metals have one electron in their valence shell, making them highly chemically reactive toward oxidizing reactants. Mechanistic information on the oxygen reduction by K at the atomic level is scarce despite its key role in defining the alkali metal-O battery performance. Here, we use scanning tunneling microscopy and density functional theory to investigate the reduction of a single oxygen molecule by K atoms codeposited on the Ag(111) surface. Our study provides fundamental chemical information on the binary and collective interactions between the O and K atoms on metal surfaces.
钾原子与固体表面氧分子之间的相互作用是钾-氧电池氧化还原过程的热点研究内容。碱金属的价壳层中有一个电子，这使得它们对氧化反应物具有高度的化学反应活性。尽管钾在定义碱金属-氧电池性能方面起着关键作用，但关于钾在原子水平上还原氧的机理信息却很少。在这里，我们使用扫描隧道显微镜和密度泛函理论来研究共沉积在Ag(111)表面的钾原子对单个氧分子的还原作用。我们的研究提供了关于金属表面氧原子和钾原子之间二元和集体相互作用的基础化学信息。
