Synergy between TiO2 and CoxOy sites in electrocatalytic water decomposition
Literature Information
Bartłomiej M. Szyja, Rutger A. van Santen
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.
Recommended Journals
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
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
DOI: 10.1039/C6CP00085A
Temperature and collision energy effects on dissociation of hydrochloric acid on water surfaces
Lauri Partanen, Garold Murdachaew, Lauri Halonen
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
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
DOI: 10.1039/C6CP01872F
Correction: Water-mediated long-range interactions between the internal vibrations of remote proteins
Anna Kuffel, Jan Zielkiewicz
DOI: 10.1039/C6CP90107G
Charge transport and optical properties of the complexes of indigo wrapped over carbon nanotubes
Ankita Joshi, C. N. Ramachandran
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
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
DOI: 10.1039/C6CP00194G
Electronic structures and second hyperpolarizabilities of alkaline earth metal complexes end-capped with NA2 (A = H, Li, Na)
Paramita Banerjee, Prasanta K. Nandi
DOI: 10.1039/C5CP07661G
You might also like
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...
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 ...
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...
What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?
Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...
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...
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...
What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?
Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...
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...
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...
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...
Source Journal
Physical Chemistry Chemical Physics

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.











![[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate structure [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate structure](https://static.chemtradehub.com/structs/100/100431-55-8-7104.webp)
![(2E)-3-(3-Chlorophenyl)-N-{2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl}acrylamide structure (2E)-3-(3-Chlorophenyl)-N-{2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl}acrylamide structure](https://static.chemtradehub.com/structs/250/2505001-54-5-c1e9.webp)

