Hydrogen Generation by Water Reduction with [Cp*2Ti(OTf)]: Identifying Elemental Mechanistic Steps by Combined In Situ FTIR and In Situ EPR Spectroscopy Supported by DFT Calculations

2013 ◽  
Vol 19 (41) ◽  
pp. 13705-13713 ◽  
Author(s):  
Dirk Hollmann ◽  
Kathleen Grabow ◽  
Haijun Jiao ◽  
Monty Kessler ◽  
Anke Spannenberg ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Epr Spectroscopy ◽  
Hydrogen Generation ◽  
In Situ Ftir ◽  
Water Reduction

scholarly journals Probing Active-Site Relocation in Cu/SSZ-13 SCR Catalysts during Hydrothermal Aging by In Situ EPR Spectroscopy, Kinetics Studies, and DFT Calculations

ACS Catalysis ◽  
2020 ◽  
Vol 10 (16) ◽  
pp. 9410-9419 ◽  
Author(s):  
Yani Zhang ◽  
Yue Peng ◽  
Junhua Li ◽  
Kyle Groden ◽  
Jean-Sabin McEwen ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Epr Spectroscopy ◽  
Active Site ◽  
Hydrothermal Aging ◽  
Kinetics Studies ◽  
Scr Catalysts

scholarly journals Electrochemical oxidation of ferricyanide

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Mun Hon Cheah ◽  
Petko Chernev
Keyword(s):  
Experimental Data ◽  
Dft Calculations ◽  
Electrochemical Oxidation ◽  
Oxidation Product ◽  
In Situ Ftir ◽  
Stable Product ◽  
Good Agreement

AbstractWe report the electrochemical oxidation of ferricyanide, [FeIII(CN)6]3− and characterised the oxidation product by in-situ FTIR and XAS spectroelectrochemistry methods. Oxidation of [FeIII(CN)6]3− is proposed to proceed via a tentative Fe(IV) intermediate that undergoes reduction elimination to give cis-[FeIII(CN)4(CH3CN)2]1− as stable product in acetonitrile. Speciation of the oxidation product by DFT calculations is underpinned by good agreement to experimental data.

Water Reduction with Visible Light: Synergy between Optical Transitions and Electron Transfer in Au-TiO2Catalysts Visualized by In situ EPR Spectroscopy

2013 ◽  
Vol 52 (43) ◽  
pp. 11420-11424 ◽  
Author(s):  
Jacqueline B. Priebe ◽  
Michael Karnahl ◽  
Henrik Junge ◽  
Matthias Beller ◽  
Dirk Hollmann ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Visible Light ◽  
Epr Spectroscopy ◽  
Optical Transitions ◽  
Water Reduction

Photoassisted Production of O2-• and H2 in Aqueous Medium Stimulated by Polythiophene in ZSM-5 Zeolite Channels

1999 ◽  
Vol 64 (1) ◽  
pp. 149-156 ◽  
Author(s):  
Gabriel Čík ◽  
František Šeršeň ◽  
Alena Bumbálová
Keyword(s):  
Reactive Oxygen Species ◽  
Ion Exchange ◽  
Visible Light ◽  
Aqueous Medium ◽  
Exchange Reaction ◽  
Epr Spectroscopy ◽  
Reactive Oxygen ◽  
Oxygen Species ◽  
Water Reduction ◽  
Ion Exchange Reaction

The formation of reactive oxygen species due to irradiation by a visible light of the polythiophene deposited in ZSM-5 zeolite channels in aqueous medium has been studied. Polymerization of thiophene was carried out in zeolite channels after the ion-exchange reaction of Na+ for Fe3+. By means of EPR spectroscopy, the temporarily generated 1O2 in irradiated aqueous medium was proved. The formation of O2-• was confirmed by the reduction of Fe3+-cytochrome c. Irradiation led to the water reduction to hydrogen.

In Situ Activated Co3–xNixO4 as a Highly Active and Ultrastable Electrocatalyst for Hydrogen Generation

ACS Catalysis ◽  
2021 ◽  
pp. 8174-8182
Author(s):  
Kailu Guo ◽  
Yantao Wang ◽  
Junfeng Huang ◽  
Min Lu ◽  
Hua Li ◽  
...  
Keyword(s):  
Hydrogen Generation ◽  
Highly Active

Physicochemical properties of geopolymer composites with DFT calculations of in-situ reduction of graphene oxide

2021 ◽  
Author(s):  
Amun Amri ◽  
Ahmad Ainun Najib ◽  
Monita Olivia ◽  
Mohammednoor Altarawneh ◽  
Aman Syam ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Dft Calculations ◽  
Physicochemical Properties ◽  
In Situ Reduction ◽  
Geopolymer Composites
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