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Article
Chemistry, Multidisciplinary
Xueping Qin et al.
Summary: Electrochemical CO2 reduction reaction (CO2RR) is a promising technology for clean energy economy. This study investigates the mechanism of CO2RR using ab initio molecular dynamics simulations. The results show that the presence of K cations promotes CO2 activation and inhibits the competitive hydrogen evolution reaction (HER) at the inner-sphere interface. A comprehensive free energy diagram of CO2RR and HER is derived, demonstrating the critical role of cations in facilitating CO2 adsorption while suppressing hydrogen evolution.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Jay T. Bender et al.
Summary: Alkali metal cations have no systematic effect on the hydrogen evolution reaction (HER) in acidic electrolytes, but do influence the HER in alkaline electrolytes. In alkaline media, HER rates decrease with increasing cation size for Ir, Pd, and Pt (Li+ > Na+ > K+ > Cs+), while they increase with cation size for Cu, Ag, and Au (Li+ < Na+ < K+ < Cs+).
ACS ENERGY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Onno van der Heijden et al.
Summary: A wide range of nickel-based catalysts have been studied for the oxygen evolution reaction (OER) in alkaline media, but their activity and Tafel slope values vary greatly. To understand this variation, we investigated Ni80Fe20OOH catalysts with different loadings under various conditions. We found that the Tafel slope value of Ni80Fe20OOH is around 30 mV dec(-1) at low current density (<5 mA cm(-2)), but increases with higher polarization and is affected by rotation rate, loading, hydroxide concentration, and sonication. These Tafel slope values are influenced by non-kinetic effects such as bubbles, potential-dependent changes in ohmic resistance, and (internal) OH- gradients. It is recommended to plot Tafel slopes against current or potential to distinguish kinetic and non-kinetic effects.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Physical
Stefan Ringe
Summary: Cation effects play a crucial role in understanding electrochemistry. This review focuses on the hydrogen evolution reaction, discussing recent experimental and computational studies conducted with different cation identities, concentrations, and pH values. It is found that the interfacial cation concentration is the key factor in explaining cation and pH effects. The detailed mechanism depends on factors such as electrode properties, potential, pH, and proton donation. Overall, cation effects present a challenging and promising area for further research.
CURRENT OPINION IN ELECTROCHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Giulia Marcandalli et al.
Summary: The electrochemical reduction of CO2 faces challenges such as low energy and Faradaic efficiencies due to concurrent electrochemical reactions and solution acid-base reactions. Recent studies have shown that the nature of the electrolyte, specifically pH and cation identity, plays a crucial role in tuning the efficiency of CO2RR to CO in aqueous solutions.
ACCOUNTS OF CHEMICAL RESEARCH
(2022)
Article
Electrochemistry
Dimitrios Fraggedakis et al.
Summary: The microscopic theory of chemical reactions is based on transition state theory, where coupled ion-electron transfer is developed to facilitate non-adiabatic electron transfer. The general formula of the reaction rate derived in this theory depends on various factors, including overpotential, solvent properties, electronic structure, and ion chemical potential in the transition state. This theory has been successfully applied to Li-ion batteries and accurately predicts the concentration dependence of reaction rates.
ELECTROCHIMICA ACTA
(2021)
Article
Chemistry, Physical
Mariana C. O. Monteiro et al.
Summary: This study investigates how the cation identity and concentration affect the kinetics of the hydrogen evolution reaction on platinum and gold electrodes. Weakly hydrated cations favor HER on gold at low overpotentials, while strongly hydrated cations exhibit higher activity in more alkaline pH conditions. The inhibition of HER by weakly hydrated cations is observed on platinum even at lower alkalinity and concentrations, suggesting a stronger interaction between platinum and metal cations.
Article
Chemistry, Multidisciplinary
Akansha Goyal et al.
Summary: Increasing the alkali metal cation concentration enhances the activity of the hydrogen evolution reaction on gold electrodes, while increasing the electrolyte pH indirectly affects the reaction activity by tuning the near-surface cation concentration. However, too high near-surface cation concentration can lead to a decrease in the reaction activity due to surface blockage.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Mariana C. O. Monteiro et al.
Summary: The study found that metal cations play a crucial role in stabilizing the CO2 intermediate during the reduction process on gold electrodes. Density functional theory simulations confirmed that partially desolvated metal cations enable the reduction by stabilizing the CO2- intermediate through short-range electrostatic interactions. In conclusion, the positively charged species from the electrolyte are key to stabilizing the crucial reaction intermediate.
Article
Chemistry, Physical
Renat Nazmutdinov et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Matthias M. Waegele et al.
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Multidisciplinary
Joaquin Resasco et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2017)
Article
Chemistry, Physical
Stephen Fletcher et al.
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Multidisciplinary
Marc T. M. Koper
Review
Chemistry, Multidisciplinary
Sharon Hammes-Schiffer et al.
Article
Chemistry, Multidisciplinary
D. Strmcnik et al.
