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ChemCatChem, ISSN 1867-3880, 07/2011, Volume 3, Issue 7, pp. 1159 - 1165
Trends in electrocatalytic activity of the oxygen evolution reaction (OER) are investigated on the basis of a large database of HO* and HOO* adsorption... 
density functional calculations | electrochemistry | electron transfer | heterogeneous catalysis | oxygen | Electrochemistry | Electron transfer | Heterogeneous catalysis | Oxygen | Density functional calculations | ELECTROLYSIS | CHEMISTRY, PHYSICAL | WATER OXIDATION | HYDROGEN | REDUCTION | CLUSTERS | EXCHANGE | METAL-OXIDES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 10/2012, Volume 14, Issue 40, pp. 14010 - 14022
Progress in the field of electrocatalysis is often hampered by the difficulty in identifying the active site on an electrode surface. Herein we combine... 
ELECTROLYSIS | DIAGRAMS | NANOPARTICLES | EVOLUTION | CARBON | MECHANISM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANORODS | FUEL-CELL | Electrocatalysis | Manganese oxides | Reduction | Catalysts | Surface chemistry | Mathematical models | Oxidation | Catalysis
Journal Article
Nature Communications, ISSN 2041-1723, 03/2016, Volume 7, Issue 1, p. 10990
Although the hydrogen evolution reaction (HER) is one of the fastest electrocatalytic reactions, modern polymer electrolyte membrane (PEM) electrolysers... 
OXIDATION | DESIGN | ALLOYS | NANOCATALYSTS | MULTIDISCIPLINARY SCIENCES | WATER ELECTROLYSIS | PLATINUM | SITES | CATALYSTS | ELECTROCATALYTIC MATERIALS | Electrodes | Copper - chemistry | Electrolysis | Surface Properties | Electrochemistry | Membranes, Artificial | Catalysis | Electrolytes - chemistry | Hydrogen - chemistry | Platinum - chemistry
Journal Article
Chemical Science, ISSN 2041-6520, 2016, Volume 8, Issue 1, pp. 124 - 130
It is known that breaking the scaling relations between the adsorption energies of *O, *OH, and *OOH is paramount in catalyzing more efficiently the reduction... 
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 11/2017, Volume 139, Issue 45, pp. 16412 - 16419
The complexity of the electrocatalytic reduction of CO to CH4 and C2H4 on copper electrodes prevents a straightforward elucidation of the reaction mechanism... 
ETHYLENE | ELECTROREDUCTION | PRODUCT DISTRIBUTION | MONOXIDE | CARBON-DIOXIDE REDUCTION | ELECTROCHEMICAL REDUCTION | ACETALDEHYDE | ADSORPTION | SELECTIVITY | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
ACS Catalysis, ISSN 2155-5435, 09/2015, Volume 5, Issue 9, pp. 5380 - 5387
The oxygen evolution reaction (OER) is one of the major bottlenecks hindering the implementation of a global economy based on solar fuels. It is known that... 
volcano plot | oxygen evolution reaction | cyclic voltammetry | rotating-disk electrode | nickel double hydroxides | transition-metal doping | density functional theory | electrocatalysis | ELECTROCHEMISTRY | DESCRIPTOR | MECHANISM | FILM | ELECTRODES | CHEMISTRY, PHYSICAL | WATER OXIDATION | CHALLENGES | PRINCIPLES | TRANSITION-METAL OXIDES | CATALYTIC-ACTIVITY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2014, Volume 140, Issue 13, p. 134708
We report on density functional theory (DFT)-GGA (generalized gradient approximation) computed adsorption energetics of water and the water-related fragments... 
OXYGEN | AUGMENTED-WAVE METHOD | HYDROGEN | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | TOTAL-ENERGY CALCULATIONS | METAL-SURFACES | BASIS-SET | WATER DISSOCIATION | INITIO MOLECULAR-DYNAMICS | Binding | Density functional theory | Adsorption | Platinum | High vacuum | Surface chemistry
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 10/2015, Volume 6, Issue 20, pp. 4073 - 4082
The electrochemical reduction of CO2 has gained significant interest recently as it has the potential to trigger a sustainable solar-fuel-based economy. In... 
FORMIC-ACID | ELECTROCATALYTIC REDUCTION | HYDROCARBONS | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CO2 ELECTROREDUCTION | NANOPARTICLES | COPPER ELECTRODES | METAL PHTHALOCYANINE | SELECTIVITY | EFFICIENCY
Journal Article
Chemical Science, ISSN 2041-6520, 2017, Volume 8, Issue 3, pp. 2283 - 2289
Experiments on model surfaces commonly help in identifying the structural sensitivity of catalytic reactions. Nevertheless, their conclusions do not frequently... 
ENERGY | EVOLUTION | NANOCATALYSTS | SINGLE-CRYSTAL SURFACES | SIZE | SITES | COORDINATION NUMBERS | METAL NANOPARTICLES | CHEMISTRY, MULTIDISCIPLINARY | FUEL-CELL CATHODE | ELECTROCATALYSTS | Nanoparticles | Oxygen | Catalysts | Platinum | Surface chemistry | Nanostructure | Catalysis | Defects | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Electrochimica Acta, ISSN 0013-4686, 12/2012, Volume 84, pp. 3 - 11
Journal Article
Physical Review Letters, ISSN 0031-9007, 03/2016, Volume 116, Issue 13, p. 136101
The interaction of platinum with water plays a key role in (electro) catalysis. Herein, we describe a combined theoretical and experimental study that resolves... 
HYDROGEN EVOLUTION | FILMS | OXYGEN REDUCTION | DISSOCIATION | CLUSTERS | H2O | PHYSICS, MULTIDISCIPLINARY | SITES | ELECTROCATALYSIS | ADSORPTION | Tetragons | Solvation | Hydrogen bonds | Platinum | Surface chemistry | Stepped | Forming | Desorption
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 09/2011, Volume 13, Issue 34, pp. 15639 - 15643
Low-temperature fuel cells are appealing alternatives to the conventional internal combustion engines for transportation applications. However, in order for... 
ELECTROLYSIS | OXIDE SURFACES | CARBON | ELECTROREDUCTION | PORPHYRINS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GRAPHENE | CHEMISTRY, PHYSICAL | FUEL-CELL CONDITIONS | FE-BASED CATALYSTS | ELECTROCATALYSTS | WATER
Journal Article
Nature Chemistry, ISSN 1755-4330, 05/2015, Volume 7, Issue 5, pp. 403 - 410
The search for improved heterogeneous catalysts is an important but difficult task. Scaling relations between the adsorption energies of reaction intermediates... 
SINGLE-CRYSTAL ELECTRODES | OXYGEN REDUCTION | CO2 REDUCTION | FUNCTIONALIZED GRAPHITIC MATERIALS | PT SITES | ELECTROCHEMICAL REDUCTION | ELECTROCATALYSIS | HETEROGENEOUS CATALYSIS | ALKALINE-MEDIUM | TRANSITION-METALS | CHEMISTRY, MULTIDISCIPLINARY | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 08/2014, Volume 53, Issue 32, pp. 8316 - 8319
Journal Article