Capturing the Role of Explicit Solvent in the Dimerization of RuV (bda) Water Oxidation Catalysts

2017 ◽  
Vol 129 (24) ◽  
pp. 7066-7069 ◽  
Author(s):  
Shaoqi Zhan ◽  
Daniel Mårtensson ◽  
Miha Purg ◽  
Shina C. L. Kamerlin ◽  
Mårten S. G. Ahlquist
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalysts ◽  
Explicit Solvent

scholarly journals Capturing the Role of Explicit Solvent in the Dimerization of RuV (bda) Water Oxidation Catalysts

2017 ◽  
Vol 56 (24) ◽  
pp. 6962-6965 ◽  
Author(s):  
Shaoqi Zhan ◽  
Daniel Mårtensson ◽  
Miha Purg ◽  
Shina C. L. Kamerlin ◽  
Mårten S. G. Ahlquist
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalysts ◽  
Explicit Solvent

Dye functionalized carbon nanotubes for photoelectrochemical water splitting – role of inner tubes

2016 ◽  
Vol 4 (7) ◽  
pp. 2473-2483 ◽  
Author(s):  
Yi Cheng ◽  
Amir Memar ◽  
Martin Saunders ◽  
Jian Pan ◽  
Chang Liu ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Water Splitting ◽  
Water Oxidation ◽  
Photoelectrochemical Water Splitting ◽  
Oxidation Catalysts ◽  
Functionalized Carbon Nanotubes ◽  
Walled Carbon Nanotubes

Dye functionalized double- and triple-walled carbon nanotubes are effective photoanodes for water splitting without the attachment of semiconductor and water oxidation catalysts.

Theoretical insights into the reactivity of Fe-based catalysts for water oxidation: the role of electron-withdrawing groups

2018 ◽  
Vol 20 (21) ◽  
pp. 14919-14926 ◽  
Author(s):  
Penglin Xu ◽  
Shaojin Hu ◽  
Hou-Dao Zhang ◽  
Xiao Zheng
Keyword(s):  
Density Functional Theory ◽  
Water Oxidation ◽  
Density Functional ◽  
Catalytic Efficiency ◽  
Oxidation Catalysts ◽  
Functional Theory

The relative catalytic efficiency of a series of Fe-based water oxidation catalysts is elucidated by comprehensive calculations using density functional theory methods.

One-electron intermediates of water oxidation & the role of solvation in their stability

2017 ◽  
Vol 5 (23) ◽  
pp. 11410-11417 ◽  
Author(s):  
X. Chen ◽  
D. Aschaffenburg ◽  
T. Cuk
Keyword(s):  
Water Oxidation ◽  
Oxidation Reaction ◽  
Theoretical Calculations ◽  
Charge Trapping ◽  
Localize Charge ◽  
Explicit Solvent

The recent observations of one-electron intermediates of the water oxidation reaction, which localize charge to the surface, suggest that their stability is guided by solvation; in turn, this calls for an expansion of current theoretical calculations of their charge trapping capacity to include explicit solvent.

Revisiting Dinuclear Ruthenium Water Oxidation Catalysts: Effect of Bridging Ligand Architecture on Catalytic Activity

2021 ◽  
Vol 60 (3) ◽  
pp. 1806-1813
Author(s):  
Husain N. Kagalwala ◽  
Mahesh S. Deshmukh ◽  
Elamparuthi Ramasamy ◽  
Neelima Nair ◽  
Rongwei Zhou ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Water Oxidation ◽  
Oxidation Catalysts ◽  
Bridging Ligand ◽  
Dinuclear Ruthenium

Heterogeneous Water Oxidation Catalysts for Molecular Anodes and Photoanodes

Solar RRL ◽  
2021 ◽  
Author(s):  
Matthew V. Sheridan ◽  
Benjamin D. Sherman ◽  
Yi Xie ◽  
Ying Wang
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalysts

scholarly journals Design of Molecular Water Oxidation Catalysts Stabilized by Ultrathin Inorganic Overlayers—Is Active Site Protection Necessary?

Inorganics ◽  
2018 ◽  
Vol 6 (4) ◽  
pp. 105 ◽  
Author(s):  
Laurent Sévery ◽  
Sebastian Siol ◽  
S. Tilley
Keyword(s):  
Water Oxidation ◽  
Atomic Layer ◽  
Deposition Process ◽  
Operating Conditions ◽  
Molecular Water ◽  
Side Reactions ◽  
Aqueous Environment ◽  
Oxidation Catalysts ◽  
Initial Onset ◽  
Anchoring Groups

Anchored molecular catalysts provide a good step towards bridging the gap between homogeneous and heterogeneous catalysis. However, applications in an aqueous environment pose a serious challenge to anchoring groups in terms of stability. Ultrathin overlayers embedding these catalysts on the surface using atomic layer deposition (ALD) are an elegant solution to tackle the anchoring group instability. The propensity of ALD precursors to react with water leads to the question whether molecules containing aqua ligands, such as most water oxidation complexes, can be protected without side reactions and deactivation during the deposition process. We synthesized two iridium and two ruthenium-based water oxidation catalysts, which contained an aqua ligand (Ir–OH2 and Ru–OH2) or a chloride (Ir–Cl and Ru–Cl) that served as a protecting group for the former. Using a ligand exchange reaction on the anchored and partially embedded Ru–Cl, the optimal overlayer thickness was determined to be 1.6 nm. An electrochemical test of the protected catalysts on meso-ITO showed different behaviors for the Ru and the Ir catalysts. The former showed no onset difference between protected and non-protected versions, but limited stability. Ir–Cl displayed excellent stability, whilst the unprotected catalyst Ir–OH2 showed a later initial onset. Self-regeneration of the catalytic activity of Ir–OH2 under operating conditions was observed. We propose chloride ligands as generally applicable protecting groups for catalysts that are to be stabilized on surfaces using ALD.

scholarly journals WO3/BiVO4: impact of charge separation at the timescale of water oxidation

2019 ◽  
Vol 10 (9) ◽  
pp. 2643-2652 ◽  
Author(s):  
Shababa Selim ◽  
Laia Francàs ◽  
Miguel García-Tecedor ◽  
Sacha Corby ◽  
Chris Blackman ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Water Oxidation ◽  
Charge Separation ◽  
Carrier Dynamics ◽  
Applied Bias ◽  
Charge Carrier Dynamics

Unveiling the role of applied bias on the charge carrier dynamics in the WO3/BiVO4 junction during water oxidation.

Sign in / Sign up

Export Citation Format

Share Document