Synergy between TiO2 and CoxOy sites in electrocatalytic water decomposition

Literature Information

Publication Date 2015-02-25
DOI 10.1039/C5CP00196J
Impact Factor 3.676
Authors

Bartłomiej M. Szyja, Rutger A. van Santen


View Original

Abstract

A computational study of the cooperative effect of a small four-atom Co oxide cluster supported on the TiO2 anatase (100) surface in the electrochemical water splitting reaction is presented. The results have been obtained including explicit solvent water molecules by means of Car–Parrinello MD simulations. Reaction steps in the catalytic cycle determined involve the formation of TiO2 surface hydroxyl groups as well as elementary reaction steps on the Co oxide cluster. Essential is the observation of O–O bond formation at the inter-phase of Co oxide particles and the TiO2 support.

Related Literature

Correction: Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies

P. Bruździak, B. Adamczak, E. Kaczkowska, J. Czub, J. Stangret

2016-05-03 Correction

DOI: 10.1039/C6CP90115H

Photoluminescence properties of Yb2+ ions doped in the perovskites CsCaX3 and CsSrX3 (X = Cl, Br, and I) – a comparative study

Markus Suta, Werner Urland, Claude Daul, Claudia Wickleder

2016-02-03 Paper

DOI: 10.1039/C6CP00085A

Temperature and collision energy effects on dissociation of hydrochloric acid on water surfaces

Lauri Partanen, Garold Murdachaew, Lauri Halonen

2016-04-12 Paper

DOI: 10.1039/C6CP00597G

Modeling the tyrosine–sugar interactions in supersonic expansions: glucopyranose–phenol clusters

Imanol Usabiaga, Jorge González, Pedro F. Arnáiz, Iker León, Emilio J. Cocinero, José A. Fernández

2016-03-14 Paper

DOI: 10.1039/C6CP00560H

Heat transport through a solid–solid junction: the interface as an autonomous thermodynamic system

Riccardo Rurali, Xavier Cartoixà, Thuat T. Trinh, Dick Bedeaux, Signe Kjelstrup

2016-04-26 Communication

DOI: 10.1039/C6CP01872F

Correction: Water-mediated long-range interactions between the internal vibrations of remote proteins

Anna Kuffel, Jan Zielkiewicz

2016-04-25 Correction

DOI: 10.1039/C6CP90107G

Charge transport and optical properties of the complexes of indigo wrapped over carbon nanotubes

Ankita Joshi, C. N. Ramachandran

2016-04-25 Paper

DOI: 10.1039/C6CP00326E

Phase behavior of lysozyme solutions in the liquid–liquid phase coexistence region at high hydrostatic pressures

Julian Schulze, Johannes Möller, Jonathan Weine, Karin Julius, Nico König, Julia Nase, Michael Paulus, Metin Tolan, Roland Winter

2016-05-05 Paper

DOI: 10.1039/C6CP01791F

Effects of a TiC substrate on the catalytic activity of Pt for NO reduction

Xingli Chu, Zhaoming Fu, Shasha Li, Xilin Zhang

2016-04-12 Paper

DOI: 10.1039/C6CP00194G

You might also like

Compound Q&A

What are the main uses of 4-Nitrophenyl phosphate disodium salt hexahydrate (CAS: 333338-18-4)?

4-Nitrophenyl phosphate disodium salt hexahydrate is primarily used as a substra...

333338-18-44-Nitrophenyl phosph...
Compound Q&A

What are the main uses of 2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4)?

2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4) is widely ...

1060816-01-42-(Trifluoromethyl)-...
Compound Q&A

How should 2-Fluoro-4-biphenylcarboxylic acid (CAS: 137045-30-8) be stored?

2-Fluoro-4-biphenylcarboxylic acid should be stored in a cool, dry place at room...

137045-30-82-Fluoro-4-biphenylc...
Compound Q&A

What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?

Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...

61549-70-0Prednisolone-21-Carb...
Compound Q&A

How should 4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) be stored?

4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) should be stored in a co...

3614-72-04-(Hydrazinomethyl)-...
Compound Q&A

What industries use 4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8)?

4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8) i...

92534-70-84-Amino-1-methyl-1H-...
Compound Q&A

What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?

Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...

77012-31-8Dehydropachymic acid
Compound Q&A

What is the market or research trend for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid (CAS: 898561-66-5)?

The market and research trends for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic aci...

898561-66-56-[(2,2-Dimethylprop...
Compound Q&A

How should 1,10-Phenanthroline-2,9-dicarbaldehyde (CAS: 57709-62-3) be stored?

1,10-Phenanthroline-2,9-dicarbaldehyde should be stored in a cool, dry place awa...

57709-62-31,10-Phenanthroline-...
Compound Q&A

How is 5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate (CAS: 113952-21-9) typically synthesized?

5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate can be synt...

113952-21-95-Carbamoyl-11-oxo-1...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.