Cargando…
Water‐Assisted Chemical Route Towards the Oxygen Evolution Reaction at the Hydrated (110) Ruthenium Oxide Surface: Heterogeneous Catalysis via DFT‐MD and Metadynamics Simulations
Notwithstanding that RuO(2) is a promising catalyst for the oxygen evolution reaction (OER), a plethora of fundamental details on its catalytic properties are still elusive, severely limiting its large‐scale deployment. It is also established experimentally that corrosion and wettability of metal ox...
Autores principales: | Creazzo, Fabrizio, Luber, Sandra |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9293344/ https://www.ncbi.nlm.nih.gov/pubmed/34486184 http://dx.doi.org/10.1002/chem.202102356 |
Ejemplares similares
-
Synthesis and structures of ruthenium–NHC complexes and their catalysis in hydrogen transfer reaction
por: Chen, Chao, et al.
Publicado: (2015) -
Closer Look at Inverse Electron Demand Diels–Alder and Nucleophilic Addition Reactions on s-Tetrazines Using Enhanced Sampling Methods
por: Ketkaew, Rangsiman, et al.
Publicado: (2021) -
Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics
por: Bonomi, Massimiliano, et al.
Publicado: (2016) -
The influence of the cationic carbenes on the initiation kinetics of ruthenium-based metathesis catalysts; a DFT study
por: Jawiczuk, Magdalena, et al.
Publicado: (2018) -
Photoredox Catalysis Using Heterogenized Iridium Complexes
por: Materna, Kelly L., et al.
Publicado: (2021)