Theoretical modeling of electrochemical proton-coupled electron transfer
RE Warburton, AV Soudackov… - Chemical …, 2022 - ACS Publications
Proton-coupled electron transfer (PCET) plays an essential role in a wide range of
electrocatalytic processes. A vast array of theoretical and computational methods have been …
electrocatalytic processes. A vast array of theoretical and computational methods have been …
Modeling Operando Electrochemical CO2 Reduction
Since the seminal works on the application of density functional theory and the
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …
[HTML][HTML] Strain enhances the activity of molecular electrocatalysts via carbon nanotube supports
Support-induced strain engineering is useful for modulating the properties of two-
dimensional materials. However, controlling strain of planar molecules is technically …
dimensional materials. However, controlling strain of planar molecules is technically …
[HTML][HTML] Regulating electronic states of nitride/hydroxide to accelerate kinetics for oxygen evolution at large current density
Rational design efficient transition metal-based electrocatalysts for oxygen evolution
reaction (OER) is critical for water splitting. However, industrial water-alkali electrolysis …
reaction (OER) is critical for water splitting. However, industrial water-alkali electrolysis …
[HTML][HTML] Insights into the activity of single-atom Fe-NC catalysts for oxygen reduction reaction
K Liu, J Fu, Y Lin, T Luo, G Ni, H Li, Z Lin… - Nature …, 2022 - nature.com
Single-atom Fe-NC catalysts has attracted widespread attentions in the oxygen reduction
reaction (ORR). However, the origin of ORR activity on Fe-NC catalysts is still unclear, which …
reaction (ORR). However, the origin of ORR activity on Fe-NC catalysts is still unclear, which …
[HTML][HTML] Identifying and tailoring C–N coupling site for efficient urea synthesis over diatomic Fe–Ni catalyst
Electrocatalytic urea synthesis emerged as the promising alternative of Haber–Bosch
process and industrial urea synthetic protocol. Here, we report that a diatomic catalyst with …
process and industrial urea synthetic protocol. Here, we report that a diatomic catalyst with …
[HTML][HTML] Facilitating two-electron oxygen reduction with pyrrolic nitrogen sites for electrochemical hydrogen peroxide production
Electrocatalytic hydrogen peroxide (H2O2) production via the two-electron oxygen reduction
reaction is a promising alternative to the energy-intensive and high-pollution anthraquinone …
reaction is a promising alternative to the energy-intensive and high-pollution anthraquinone …
[PDF][PDF] Research progress of hydrogen oxidation and hydrogen evolution reaction mechanism in alkaline media
M Li, X Zheng, L Li, Z Wei - Acta Phys.-Chim. Sin, 2021 - researchgate.net
Hydrogen oxygen fuel cells and water electrolysis serves as two important systems for
realizing the recycling of hydrogen energy, which involves two crucial electrochemical …
realizing the recycling of hydrogen energy, which involves two crucial electrochemical …
Combined anodic and cathodic hydrogen production from aldehyde oxidation and hydrogen evolution reaction
Hydrogen production through water electrolysis is of considerable interest for converting the
intermittent electricity generated by renewable energy sources into storable chemical …
intermittent electricity generated by renewable energy sources into storable chemical …
What is the Real Origin of the Activity of Fe–N–C Electrocatalysts in the O2 Reduction Reaction? Critical Roles of Coordinating Pyrrolic N and Axially Adsorbing …
Fe–N–C electrocatalysts have emerged as promising substitutes for Pt-based catalysts for
the oxygen reduction reaction (ORR). However, their real catalytic active site is still under …
the oxygen reduction reaction (ORR). However, their real catalytic active site is still under …