Theoretical modeling of electrochemical proton-coupled electron transfer
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 …
Integration of theory and experiment in the modelling of heterogeneous electrocatalysis
Heterogeneous electrocatalysis is critical to many energy conversion processes. Theoretical
and computational approaches are essential to interpret experimental data and provide the …
and computational approaches are essential to interpret experimental data and provide the …
Vibrational Stark shift spectroscopy of catalysts under the influence of electric fields at electrode–solution interfaces
External control of chemical processes is a subject of widespread interest in chemical
research, including control of electrocatalytic processes with significant promise in energy …
research, including control of electrocatalytic processes with significant promise in energy …
The Solvation-Induced Onsager Reaction Field Rather than the Double-Layer Field Controls CO2 Reduction on Gold
The selectivity and activity of the carbon dioxide reduction (CO2R) reaction are sensitive
functions of the electrolyte cation. By measuring the vibrational Stark shift of in situ …
functions of the electrolyte cation. By measuring the vibrational Stark shift of in situ …
Spontaneous electric fields play a key role in thermochemical catalysis at metal− liquid interfaces
Large oriented electric fields spontaneously arise at all solid–liquid interfaces via the
exchange of ions and/or electrons with the solution. Although intrinsic electric fields are …
exchange of ions and/or electrons with the solution. Although intrinsic electric fields are …
Electro-inductive effect dominates vibrational frequency shifts of conjugated probes on gold electrodes
Interfacial electric fields play a critical role in electrocatalysis and are often characterized by
using vibrational probes attached to an electrode surface. Understanding the physical …
using vibrational probes attached to an electrode surface. Understanding the physical …
The hydrogen-bonding dynamics of water to a nitrile-functionalized electrode is modulated by voltage according to ultrafast 2D IR spectroscopy
We report the hydrogen-bonding dynamics of water to a nitrile-functionalized and plasmonic
electrode surface as a function of applied voltage. The surface-enhanced two-dimensional …
electrode surface as a function of applied voltage. The surface-enhanced two-dimensional …
Interfacial field-driven proton-coupled electron transfer at graphite-conjugated organic acids
Interfacial proton-coupled electron transfer (PCET) reactions are central to the operation of a
wide array of energy conversion technologies, but molecular-level insights into interfacial …
wide array of energy conversion technologies, but molecular-level insights into interfacial …
Interfacial Acid–Base Equilibria and Electric Fields Concurrently Probed by In Situ Surface-Enhanced Infrared Spectroscopy
Understanding how applied potentials and electrolyte solution conditions affect interfacial
proton (charge) transfers at electrode surfaces is critical for electrochemical technologies …
proton (charge) transfers at electrode surfaces is critical for electrochemical technologies …
Advances and challenges for experiment and theory for multi-electron multi-proton transfer at electrified solid–liquid interfaces
Multi-electron, multi-proton transfer is important in a wide spectrum of processes spanning
biological, chemical and physical systems. These reactions have attracted significant …
biological, chemical and physical systems. These reactions have attracted significant …