articleJournal of the American Chemical SocietyFeb 14, 2025Closed access

Metal Doping Activation of Anion-Mediated Electron Transfer in Catalytic Reactions

University of California, Los Angeles · University of California System · +9 more institutions

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Abstract

Heteroatom-doping has emerged as a transformative approach to producing high-performance catalysts, yet the current trial-and-error approach to optimize these materials remains ineffective. To enable the rational design of more efficient catalysts, models grounded in a deeper understanding of catalytic mechanisms are essential. Existing models, such as d-band center theory, fall short in explaining the role of dopants, particularly when these dopants do not directly interact with reactants. In this study, we synthesize various heteroatom-doped catalysts to explore the correlation between the electronic effects of the dopants and catalyst activity. Using Co-MoS2 as a model catalyst and the Li–S redox reaction…

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