The hydrogen evolution reaction: from material to interfacial descriptors
The production of sustainable hydrogen with water electrolyzers is envisaged as one of the
most promising ways to match the continuously growing demand for renewable electricity …
most promising ways to match the continuously growing demand for renewable electricity …
Improving the accuracy of atomistic simulations of the electrochemical interface
Atomistic simulation of the electrochemical double layer is an ambitious undertaking,
requiring quantum mechanical description of electrons, phase space sampling of liquid …
requiring quantum mechanical description of electrons, phase space sampling of liquid …
Hydrogen bond network connectivity in the electric double layer dominates the kinetic pH effect in hydrogen electrocatalysis on Pt
The origin of the large kinetic pH effect in hydrogen electrocatalysis, that is, the
approximately two orders of magnitude decrease in reaction kinetics when moving from acid …
approximately two orders of magnitude decrease in reaction kinetics when moving from acid …
[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 …
Unified mechanistic understanding of CO2 reduction to CO on transition metal and single atom catalysts
CO is the simplest product from CO2 electroreduction (CO2R), but the identity and nature of
its rate-limiting step remain controversial. Here we investigate the activity of transition metals …
its rate-limiting step remain controversial. Here we investigate the activity of transition metals …
Porous two-dimensional iron-cyano nanosheets for high-rate electrochemical nitrate reduction
Ammonia (NH3) is an essential ingredient in agriculture and a promising source of clean
energy as a hydrogen carrier. The current major method for ammonia production, however …
energy as a hydrogen carrier. The current major method for ammonia production, however …
pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper
We present a microkinetic model for CO (2) reduction (CO (2) R) on Cu (211) towards C2
products, based on energetics estimated from an explicit solvent model. We show that the …
products, based on energetics estimated from an explicit solvent model. We show that the …
How cations affect the electric double layer and the rates and selectivity of electrocatalytic processes
Electrocatalysis is central to the production of renewable fuels and high-value commodity
chemicals. The electrolyte and the electrode together determine the catalytic properties of …
chemicals. The electrolyte and the electrode together determine the catalytic properties of …
Advancing the electrochemistry of gas‐involved reactions through theoretical calculations and simulations from microscopic to macroscopic
Nowadays, gas‐involved electrochemical reactions, such as carbon dioxide reduction
reaction (CO2RR), nitrogen reduction reaction (NRR), and hydrogen evolution reaction …
reaction (CO2RR), nitrogen reduction reaction (NRR), and hydrogen evolution reaction …
Water at interfaces
O Björneholm, MH Hansen, A Hodgson… - Chemical …, 2016 - ACS Publications
The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …
technological processes and in the environment. Examples of aqueous interfaces are …