ReviewFrontiers in chemistry2018
Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges.
Review in Frontiers in chemistry, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
6 citing papers in PubMed.
- Theoretical study on the mechanism of water oxidation catalyzed by a mononuclear copper complex: important roles of a redox non-innocent ligand and HPORSC advances · 2023Article
- Regeneration and Degradation in a Biomimetic Polyoxometalate Water Oxidation Catalyst.ACS catalysis · 2023Article
- Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity.RSC advances · 2022Article
- Light-Driven Water Oxidation with Ligand-Engineered Prussian Blue Analogues.Inorganic chemistry · 2022Article
- Flexibility Enhances Reactivity: Redox Isomerism and Jahn-Teller Effects in a Bioinspired MnACS catalysis · 2021Article
- Advances in Sustainable Catalysis: A Computational Perspective.Frontiers in chemistry · 2019Review
Corrections and comments
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Authors and funding
2 authors.
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Abstract
A lot of effort is nowadays put into the development of novel water oxidation catalysts. In this context, mechanistic studies are crucial in order to elucidate the reaction mechanisms governing this complex process, new design paradigms and strategies how to improve the stability and efficiency of those catalysts. This review is focused on recent theoretical mechanistic studies in the field of homogeneous cobalt-based water oxidation catalysts. In the first part, computational methodologies and protocols are summarized and evaluated on the basis of their applicability toward real catalytic or smaller model systems, whereby special emphasis is laid on the choice of an appropriate model system. In the second part, an overview of mechanistic studies is presented, from which conceptual guidelines are drawn on how to approach novel studies of catalysts and how to further develop the field of computational modeling of water oxidation reactions.
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Registered trials
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