Mixed-valence manganese calcium oxides as efficient catalysts for water oxidation

2011 ◽  
Vol 40 (15) ◽  
pp. 3793-3795 ◽  
Author(s):  
Mohammad Mahdi Najafpour
Keyword(s):  
Water Oxidation ◽  
Mixed Valence

Oxidation of Mixed-Valence CoIII/FeIIComplexes Reversed at High pH:  A Kinetico-Mechanistic Study of Water Oxidation

2004 ◽  
Vol 43 (22) ◽  
pp. 7187-7195 ◽  
Author(s):  
Paul V. Bernhardt ◽  
Fernando Bozoglian ◽  
Brendan P. Macpherson ◽  
Manuel Martínez ◽  
André E. Merbach ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Mixed Valence ◽  
Mechanistic Study ◽  
High Ph

Slow magnetic relaxation and water oxidation activity of dinuclear CoIICoIII and unique triangular CoIICoIICoIII mixed-valence complexes

2020 ◽  
Vol 49 (19) ◽  
pp. 6328-6340
Author(s):  
Ritwik Modak ◽  
Biswajit Mondal ◽  
Yeasin Sikdar ◽  
Jayisha Banerjee ◽  
Enrique Colacio ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Coordination Compounds ◽  
Magnetic Relaxation ◽  
Mixed Valence ◽  
Oxidation Catalysts ◽  
Oxidation Activity ◽  
Slow Magnetic Relaxation

Mixed valence cobalt based coordination compounds acting as single ion magnets and water oxidation catalysts.

A multilayer assembly of two mixed-valence Mn16-containing polyanions and study of their electrocatalytic activities towards water oxidation

2018 ◽  
Vol 47 (21) ◽  
pp. 7282-7289 ◽  
Author(s):  
Yu Du ◽  
Tian Yu ◽  
Zhijing Fu ◽  
Lihua Bi
Keyword(s):  
Water Oxidation ◽  
Mixed Valence ◽  
Composite Films

Electrocatalytic activities of two Mn16 cluster-containing polyanions towards water oxidation were comparatively studied in solution and composite films.

A facile corrosion approach to the synthesis of highly active CoOx water oxidation catalysts

2017 ◽  
Vol 5 (10) ◽  
pp. 5171-5177 ◽  
Author(s):  
Arindam Indra ◽  
Prashanth W. Menezes ◽  
Chittaranjan Das ◽  
Caren Göbel ◽  
Massimo Tallarida ◽  
...  
Keyword(s):  
Partial Oxidation ◽  
Water Oxidation ◽  
Room Temperature ◽  
Mixed Valence ◽  
Alkaline Ph ◽  
Oxidation Catalysts ◽  
Highly Active

Room temperature partial oxidation (corrosion) of cubic CoO led to the formation of mixed valence CoOx with better electrochemical water oxidation activities in alkaline pH. Activation of both octahedral Co3+ and Co2+ to layered oxohydroxide–hydroxide during alkaline electrochemical water oxidation has been demonstrated.

Facile water oxidation by dinuclear mixed-valence CoIII/CoII complexes: the role of coordinated water

2021 ◽  
Author(s):  
Atanu Dey ◽  
Anku Guha ◽  
Vierandra Kumar ◽  
Sumit Bawari ◽  
Tharangattu N. Narayanan ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Mixed Valence ◽  
Coordinated Water

Dinuclear mixed-valence CoIIICoII complexes, [CoIIICoII(LH2)2(X)(H2O)] (X = OAc or Cl), containing coordinated water show better OER activity than complex [CoIIICoII(LH2)2(vanillin)] that does not possess coordinated water.

scholarly journals A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase

Catalysts ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 493
Author(s):  
Gustavo Cárdenas ◽  
Philipp Marquetand ◽  
Sebastian Mai ◽  
Leticia González
Keyword(s):  
Force Field ◽  
Molecular Mechanics ◽  
Water Oxidation ◽  
Mixed Valence ◽  
Oxidation Catalyst ◽  
Synthetic Analogue ◽  
Oxygen Evolving Complex ◽  
Redox Potentials ◽  
Jahn Teller ◽  
Oxygen Evolving

We present a molecular mechanics force field in AMBER format for the mixed-valence manganese vanadium oxide cluster [Mn4V4O17(OAc)3]3−—a synthetic analogue of the oxygen-evolving complex that catalyzes the water oxidation reaction in photosystem II—with parameter sets for two different oxidation states. Most force field parameters involving metal atoms have been newly parametrized and the harmonic terms refined using hybrid quantum mechanics/molecular mechanics reference simulations, although some parameters were adapted from pre-existing force fields of vanadate cages and manganese oxo dimers. The characteristic Jahn–Teller distortions of d4 MnIII ions in octahedral environments are recovered by the force field. As an application, the developed parameters have been used to calculate the redox potential of the [MnIIIMn3IV] ⇌ [Mn4IV]+e− half-reaction in acetonitrile by means of Marcus theory.

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