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Updated: May 26, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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在Cu-Peptoid电催化剂内的生物模拟第二协调球体效应使得在pH 7下使水具有均的氧化

Guilin Ruan1, Suraj Pahar1, Natalia Fridman1

  • 1Schulich Faculty of Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel.

Inorganic chemistry
|February 23, 2025
PubMed
概括

一种新型的铜-化合物,Cu2(BDiE) 2,在中性pH下作为氧演化反应 (OER) 的同质电催化剂. 它的二醇侧链通过键稳定复合物,通过独特的,缓冲区独立的基因通路实现高效的OER.

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相关概念视频

Catalysis02:50

Catalysis

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Metal-Ligand Bonds

The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
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The titration of a polyprotic base such as sodium carbonate with a strong acid such as hydrochloric acid results in two equivalence points on the titration curve. At the first equivalence point, the carbonate ions in the base are completely converted to bicarbonate ions. The second equivalence point corresponds to the complete conversion of bicarbonate ions to carbonic acid, which dissociates into carbon dioxide and water. The region before the first equivalence point corresponds to the...
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Ladder Diagrams: Redox Equilibria

Ladder diagrams are useful tools for understanding redox equilibrium reactions, especially the effects of concentration changes on the electrochemical potential of the reaction. The vertical axis in the redox ladder diagrams represents the electrochemical potential, E. The area of predominance is demarcated using the Nernst equation.
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
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