A5056897205- Electrochemical Analysis and Applications
- Electrocatalysts for Energy Conversion
- Fuel Cells and Related Materials
- Electrodeposition and Electroless Coatings
- Molecular Junctions and Nanostructures
- CO2 Reduction Techniques and Catalysts
- Ionic liquids properties and applications
- Advanced battery technologies research
- Machine Learning in Materials Science
- Advanced Sensor and Energy Harvesting Materials
- Catalysis and Oxidation Reactions
- Corrosion Behavior and Inhibition
- Advanced Memory and Neural Computing
- Anodic Oxide Films and Nanostructures
- Spectroscopy and Quantum Chemical Studies
University of Copenhagen
2020-2025
The hydrogen evolution reaction (HER) is known to be influenced by the identity of alkali metal cations in electrolyte. But a clear understanding this behavior has not been developed. Here, we present results experimental and theoretical studies that describe how influence HER acidic basic electrolytes. Alkali are shown have no systematic effect on rates acid. In alkaline media, decrease with increasing cation size over Ir, Pd, Pt (Li+ > Na+ K+ Cs+) increase Cu, Ag, Au < Cs+). We argue...
Abstract Developing efficient and stable Pt‐based oxygen reduction reaction (ORR) electrocatalysts via both economical controllable routes is critical for the practical application of electrochemical energy devices. Herein, a scalable, controllable, general ambient‐O 2 ‐involved aqueous‐solution cultivating strategy to prepare Pt x M y (M = Ni, Fe, Co) bunched‐nanocages aerogels (BNCs AG) demonstrated, based on newly established high‐M‐to‐Pt‐precursor‐ratio‐and‐B‐incorporation‐facilitated...
Cu electrodes are promising materials to catalyze the conversion of CO2 and CO into renewable fuels valuable chemicals. However, a detailed description properties Cu–electrolyte interface is still crucial reach complete understanding reduction mechanism. Herein, we have investigated interfacial Cu(111) Cu(100) in phosphate buffer solutions at different pH conditions presence CO. Ab initio molecular simulations were combined with voltammetric experiments carried out on single-crystalline...
Cyclic voltammograms are key to much of the accumulated understanding nature electrochemical interfaces; however, they provide no direct information on atomic structure interface. Herein, we present a method allowing for coupling ab initio simulations experiments and vice versa. The methodology proposed is based use generalized computational hydrogen electrode, which herein has been further developed account counterions. well-studied Pt(111) interface investigated in acidic alkaline media....
Electrolyte effects play an important role in the activity of oxygen reduction reaction (ORR) Pt-based electrodes. Herein, we combine a computational model and rotating disk electrode measurements to investigate from phosphate anion poisoning for ORR on well-defined extended Pt surfaces. We construct including effect species Pt(111) Cu/Pt(111) based density functional theory simulations. By varying subsurface Cu content alloy, tune *OH binding energies surface by means ligand effects, as...
For decades, it has been recognized that alloying platinum (Pt) with a secondary metal can enhance the catalytic activity of oxygen reduction reaction (ORR) compared to pristine Pt catalysts. However, mechanisms underlying this phenomenon vary significantly from one alloy another. Here, we report results computational study on origin experimentally observed enhanced ORR AgxPt1-x/Pt(1 1 1) monolayer surface 7 %–50 % Ag contents. A phase-separation model was developed and able generate 2D...
Electrochemical reduction of CO 2 (CO R) offers an appealing way to store intermittent energy produced by renewable electricity sources and sustainably produce chemicals that are currently derived from petroleum. It is well known R performance affected not only the structure composition (electro)catalysts but also microenvironment surrounding catalytic active sites. The impact supporting electrolytes on kinetics in aqueous has been subject many studies. However far less work done understand...
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Electrolyte effects play an important role on the activity of oxygen reduction reaction (ORR) Pt-based electrodes. Herein, we combine a computational model and rotating disk electrode measurements to investigate from phosphate anion poisoning for ORR well-defined extended Pt surfaces. We construct including effect species Pt(111) Cu/Pt(111) based density functional theory simulations. have investigated adsorbed at low overpotentials when tuning *OH binding energies. Our work shows that,...
Insights into the governing mechanisms relevant for electrocatalytic energy conversion is of fundamental interest future schemes aimed at combating fossil dependence and anthropogenic CO 2 emissions. 1 Electrocatalytic reactions occur an electrode’s surface-electrolyte interface (see figure 1a). In this both geometric electronic effects determine selectivity efficiency reaction. 2,3 Simultaneously, structure properties electrochemical are affected not only by potential applied to...
Herein, we have investigated the interfacial properties of Cu(111) and Cu(100) in phosphate buffer solutions at different pH conditions presence CO. Ab initio molecular simulations Cu-electrolyte interface were combined with voltammetric experiments carried out on single-crystalline electrodes. We show that adsorption strength species Cu facets affects potential range which CO poisons surface. The controls for reduction Cu.
Herein, we have investigated the interfacial properties of Cu(111) and Cu(100) in phosphate buffer solutions at different pH conditions presence CO. Ab initio molecular simulations Cu-electrolyte interface were combined with voltammetric experiments carried out on single-crystalline electrodes. We show that adsorption strength species Cu facets affects potential range which CO poisons surface. The controls for reduction Cu.
Herein, we have investigated the interfacial properties of Cu(111) and Cu(100) in phosphate buffer solutions at different pH conditions presence CO. Ab initio molecular simulations Cu-electrolyte interface were combined with voltammetric experiments carried out on single-crystalline electrodes. We show that adsorption strength species Cu facets affects potential range which CO poisons surface. The controls for reduction Cu.
Electrolyte effects play an important role on the activity of oxygen reduction reaction (ORR) Pt-based electrodes. Herein, we combine a computational model and rotating disk electrode measurements to investigate from phosphate anion poisoning for ORR well-defined extended Pt surfaces. We construct including effect species Pt(111) Cu/Pt(111) based density functional theory simulations. have investigated adsorbed at low overpotentials when tuning *OH binding energies. Our work shows that,...
Electrolyte effects play an important role on the activity of oxygen reduction reaction (ORR) Pt-based electrodes. Herein, we combine a computational model and rotating disk electrode measurements to investigate from phosphate anion poisoning for ORR well-defined extended Pt surfaces. We construct including effect species Pt(111) Cu/Pt(111) based density functional theory simulations. have investigated adsorbed at low overpotentials when tuning *OH binding energies. Our work shows that,...