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 …
Emerging Atomistic Modeling Methods for Heterogeneous Electrocatalysis
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …
enable a sustainable future. However, its complexity makes it challenging to accurately and …
Efficient urea electrosynthesis from carbon dioxide and nitrate via alternating Cu–W bimetallic C–N coupling sites
Electrocatalytic urea synthesis is an emerging alternative technology to the traditional
energy-intensive industrial urea synthesis protocol. Novel strategies are urgently needed to …
energy-intensive industrial urea synthesis protocol. Novel strategies are urgently needed to …
Coverage-driven selectivity switch from ethylene to acetate in high-rate CO2/CO electrolysis
Tuning catalyst microenvironments by electrolytes and organic modifications is effective in
improving CO2 electrolysis performance. An alternative way is to use mixed CO/CO2 feeds …
improving CO2 electrolysis performance. An alternative way is to use mixed CO/CO2 feeds …
Comprehensive H2O Molecules Regulation via Deep Eutectic Solvents for Ultra‐Stable Zinc Metal Anode
The corrosion, parasitic reactions, and aggravated dendrite growth severely restrict
development of aqueous Zn metal batteries. Here, we report a novel strategy to break the …
development of aqueous Zn metal batteries. Here, we report a novel strategy to break the …
Induced activation of the commercial Cu/ZnO/Al2O3 catalyst for the steam reforming of methanol
The surface structure of heterogeneous catalysts is closely associated with their catalytic
performance. Current efforts for structural modification mainly focus on improving the catalyst …
performance. Current efforts for structural modification mainly focus on improving the catalyst …
Dual hydrogen production from electrocatalytic water reduction coupled with formaldehyde oxidation via a copper-silver electrocatalyst
The broad employment of water electrolysis for hydrogen (H2) production is restricted by its
large voltage requirement and low energy conversion efficiency because of the sluggish …
large voltage requirement and low energy conversion efficiency because of the sluggish …
Lead halide–templated crystallization of methylamine-free perovskite for efficient photovoltaic modules
Upscaling efficient and stable perovskite layers is one of the most challenging issues in the
commercialization of perovskite solar cells. Here, a lead halide–templated crystallization …
commercialization of perovskite solar cells. Here, a lead halide–templated crystallization …
Asymmetric Sites on the ZnZrOx Catalyst for Promoting Formate Formation and Transformation in CO2 Hydrogenation
The role of formate species for CO2 hydrogenation is still under debate. Although formate
has been frequently observed and commonly proposed as the possible intermediate, there …
has been frequently observed and commonly proposed as the possible intermediate, there …
A selective Au-ZnO/TiO2 hybrid photocatalyst for oxidative coupling of methane to ethane with dioxygen
Direct oxidation of methane to valuable chemicals is a great challenge as catalysts with both
high activity and selectivity for the activation of inert C–H bonds are required. Here, we …
high activity and selectivity for the activation of inert C–H bonds are required. Here, we …