scholarly journals Direct and indirect role of Fe doping in NiOOH monolayer for water oxidation catalysis

2021 ◽  
Author(s):  
Manish Kumar ◽  
Simone Piccinin ◽  
Varadharajan Srinivasan
Keyword(s):  
Water Oxidation ◽  
Active Sites ◽  
Oxidation Catalysis ◽  
Lattice Oxygen ◽  
Nucleophilic Attack ◽  
Different Types ◽  
Water Oxidation Catalysis ◽  
Experimental Findings ◽  
Precise Role

The oxygen evolution reaction (OER) activity of pristine NiOOH is enhanced by doping with Fe. However, the precise role of Fe is still being debated. Here, we use the first-principles DFT+U approach to study three different types of active sites: one on pristine and the other two on Fe-doped NiOOH monolayers to account for the direct and indirect roles of Fe. To compare the activity of the active sites, we consider two mechanisms of OER based on the source of O-O bond formation. Our results show that the mechanism involving the coupling of lattice oxygen is generally more favorable than water nucleophilic attack on lattice oxygen. On doping with Fe, the overpotential of NiOOH is reduced by 0.33 V in excellent agreement with experimental findings. Introducing Fe at active sites results in different potential determining steps (PDS) in the two mechanisms, whereas Ni sites in pristine and Fe-doped NiOOH have the same PDS regardless of the mechanism. The Fe sites not only have the lowest overpotential but also decrease the overpotential for Ni sites.

scholarly journals A stable dye-sensitized photoelectrosynthesis cell mediated by a NiO overlayer for water oxidation

2019 ◽  
Vol 117 (23) ◽  
pp. 12564-12571 ◽  
Author(s):  
Degao Wang ◽  
Fujun Niu ◽  
Michael J. Mortelliti ◽  
Matthew V. Sheridan ◽  
Benjamin D. Sherman ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Photocurrent Density ◽  
Oxidation Catalysis ◽  
Oxidation Catalyst ◽  
Photoelectrochemical Cells ◽  
Half Cell ◽  
Dye Sensitized ◽  
Light Absorber ◽  
Water Oxidation Catalysis

In the development of photoelectrochemical cells for water splitting or CO2reduction, a major challenge is O2evolution at photoelectrodes that, in behavior, mimic photosystem II. At an appropriate semiconductor electrode, a water oxidation catalyst must be integrated with a visible light absorber in a stable half-cell configuration. Here, we describe an electrode consisting of a light absorber, an intermediate electron donor layer, and a water oxidation catalyst for sustained light driven water oxidation catalysis. In assembling the electrode on nanoparticle SnO2/TiO2electrodes, a Ru(II) polypyridyl complex was used as the light absorber, NiO was deposited as an overlayer, and a Ru(II) 2,2′-bipyridine-6,6′-dicarboxylate complex as the water oxidation catalyst. In the final electrode, addition of the NiO overlayer enhanced performance toward water oxidation with the final electrode operating with a 1.1 mA/cm2photocurrent density for 2 h without decomposition under one sun illumination in a pH 4.65 solution. We attribute the enhanced performance to the role of NiO as an electron transfer mediator between the light absorber and the catalyst.

Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II

2020 ◽  
Vol 22 (1) ◽  
pp. 273-285 ◽  
Author(s):  
Shin Nakamura ◽  
Matteo Capone ◽  
Daniele Narzi ◽  
Leonardo Guidoni
Keyword(s):  
Hydrogen Bond ◽  
Photosystem Ii ◽  
Water Splitting ◽  
Oxidation State ◽  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Pivotal Role ◽  
Redox Active ◽  
Water Oxidation Catalysis

TyrZ oxidation state triggers hydrogen bond modification in the water oxidation catalysis.

Confined Ir single sites with triggered lattice oxygen redox: Toward boosted and sustained water oxidation catalysis

Joule ◽  
2021 ◽  
Vol 5 (8) ◽  
pp. 2164-2176 ◽  
Author(s):  
Zhaoping Shi ◽  
Ying Wang ◽  
Ji Li ◽  
Xian Wang ◽  
Yibo Wang ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Lattice Oxygen ◽  
Water Oxidation Catalysis

scholarly journals Decoration of the layered manganese oxide birnessite with Mn(ii/iii) gives a new water oxidation catalyst with fifty-fold turnover number enhancement

2015 ◽  
Vol 44 (29) ◽  
pp. 12981-12984 ◽  
Author(s):  
Ian G. McKendry ◽  
Sandeep K. Kondaveeti ◽  
Samantha L. Shumlas ◽  
Daniel R. Strongin ◽  
Michael J. Zdilla
Keyword(s):  
Manganese Oxide ◽  
Oxidation State ◽  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Oxidation Catalyst ◽  
Turnover Number ◽  
Average Oxidation State ◽  
Water Oxidation Catalysis ◽  
Layered Manganese Oxide

The role of the manganese average oxidation state (AOS) in water oxidation catalysis by birnessite was investigated.

scholarly journals Water oxidation catalysis – role of redox and structural dynamics in biological photosynthesis and inorganic manganese oxides

2016 ◽  
Vol 9 (7) ◽  
pp. 2433-2443 ◽  
Author(s):  
I. Zaharieva ◽  
D. González-Flores ◽  
B. Asfari ◽  
C. Pasquini ◽  
M. R. Mohammadi ◽  
...  
Keyword(s):  
Metal Complex ◽  
Structural Dynamics ◽  
Water Oxidation ◽  
Manganese Oxides ◽  
Fossil Fuel ◽  
Oxidation Catalysis ◽  
Water Oxidation Catalysis

Water oxidation is pivotal in biological photosynthesis, where it is catalyzed by a protein-bound metal complex with a Mn4Ca-oxide core; related synthetic catalysts may become key components in non-fossil fuel technologies.

Sign in / Sign up

Export Citation Format

Share Document