ArticleChemical science2022
An efficient factor for fast screening of high-performance two-dimensional metal-organic frameworks towards catalyzing the oxygen evolution reaction.
Article in Chemical science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- Oxygen-modulated engineering of CuNature communications · 2025Article
- Length-tunable PdChemical science · 2023Article
- An electrochemical modification strategy to fabricate NiFeCuPt polymetallic carbon matrices on nickel foam as stable electrocatalysts for water splitting.Chemical science · 2022Article
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Authors and funding
7 authors.
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Abstract
Two-dimensional (2D) metal-organic frameworks (MOFs) are promising materials for catalyzing the oxygen evolution reaction (OER) due to their abundant exposed active sites and high specific surface area. However, how to rapidly screen out highly-active 2D MOFs from numerous candidates is still a great challenge. Herein, based on the high-throughput density functional theory (DFT) calculations for 20 kinds of different transition metal-based MOFs, we propose a factor for fast screening of 2D MOFs for the OER under alkaline conditions (pH = 14.0), that is, when the Gibbs free energy change of the O-O bond formation (defined as Δ
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