The Oxygen Evolution Reaction at MoS(2) Edge Sites: The Role of a Solvent Environment in DFT-Based Molecular Simulations

Density functional theory (DFT) calculations are employed to study the oxygen evolution reaction (OER) on the edges of stripes of monolayer molybdenum disulfide. Experimentally, this material has been shown to evolve oxygen, albeit with low efficiency. Previous DFT studies have traced this low catal...

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Detalles Bibliográficos
Autores principales: German, Estefania, Gebauer, Ralph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10343818/
https://www.ncbi.nlm.nih.gov/pubmed/37446844
http://dx.doi.org/10.3390/molecules28135182

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10343818/
https://www.ncbi.nlm.nih.gov/pubmed/37446844
http://dx.doi.org/10.3390/molecules28135182

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