Theoretical heterogeneous catalysis: scaling relationships and computational catalyst design
J Greeley - Annual review of chemical and biomolecular …, 2016 - annualreviews.org
Scaling relationships are theoretical constructs that relate the binding energies of a wide
variety of catalytic intermediates across a range of catalyst surfaces. Such relationships are …
variety of catalytic intermediates across a range of catalyst surfaces. Such relationships are …
Revealing the nature of active sites in electrocatalysis
Heterogeneous electrocatalysis plays a central role in the development of sustainable,
carbon-neutral pathways for energy provision and the production of various chemicals. It …
carbon-neutral pathways for energy provision and the production of various chemicals. It …
Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers
The search for improved heterogeneous catalysts is an important but difficult task. Scaling
relations between the adsorption energies of reaction intermediates greatly facilitate the …
relations between the adsorption energies of reaction intermediates greatly facilitate the …
Atomistic insights into nitrogen-cycle electrochemistry: a combined DFT and kinetic Monte Carlo analysis of NO electrochemical reduction on Pt (100)
Electrocatalytic denitrification is a promising technology for the removal of NO x species in
groundwater. However, a lack of understanding of the molecular pathways that control the …
groundwater. However, a lack of understanding of the molecular pathways that control the …
Efficient nitric oxide reduction to ammonia on a metal-free electrocatalyst
NH3 synthesis and NO removal are two of the most attractive and challenging processes in
electrochemistry. Current research efforts mainly focus on them separately, while the direct …
electrochemistry. Current research efforts mainly focus on them separately, while the direct …
High-throughput screening of efficient biatom catalysts based on monolayer carbon nitride for the nitric oxide reduction reaction
Exploring efficient catalysts for the nitric oxide reduction reaction (NORR) toward NH3
synthesis is becoming increasingly important for tackling both NH3 synthesis and NO …
synthesis is becoming increasingly important for tackling both NH3 synthesis and NO …
Bond-making and breaking between carbon, nitrogen, and oxygen in electrocatalysis
Many catalytic reactions involving small molecules, which are key transformations in
sustainable energy and chemistry, involve the making or breaking of a bond between …
sustainable energy and chemistry, involve the making or breaking of a bond between …
Bimetallic NiMoN nanowires with a preferential reactive facet: an ultraefficient bifunctional electrocatalyst for overall water splitting
Faceted nanomaterials with highly reactive exposed facets have been the target of intense
researches owing to their significantly enhanced catalytic performance. NiMoN nanowires …
researches owing to their significantly enhanced catalytic performance. NiMoN nanowires …
Ethanol electro-oxidation on palladium revisited using polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) and density functional theory …
Insights into the ethanol electro-oxidation reaction mechanism on palladium in alkaline
media are presented combining polarization modulation infrared reflection absorption …
media are presented combining polarization modulation infrared reflection absorption …
Electrocatalysis on gold
P Rodriguez, MTM Koper - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
This perspective article reviews recent advances in the study of important catalytic reactions
on gold electrodes. The paper discusses both oxidation and reduction reactions: the …
on gold electrodes. The paper discusses both oxidation and reduction reactions: the …