Emerging atomistic modeling methods for heterogeneous electrocatalysis

Z Levell, J Le, S Yu, R Wang, S Ethirajan… - Chemical …, 2024‏ - ACS Publications
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 …

Different distributions of multi-carbon products in CO2 and CO electroreduction under practical reaction conditions

JYT Kim, C Sellers, S Hao, TP Senftle, H Wang - Nature Catalysis, 2023‏ - nature.com
Product selectivity differences between the electroreduction of CO2 and CO under practical
current densities are a widely encountered phenomenon that is rarely emphasized or …

Tafel slope plot as a tool to analyze electrocatalytic reactions

O van der Heijden, S Park, RE Vos… - ACS Energy …, 2024‏ - ACS Publications
Kinetic and nonkinetic contributions to the Tafel slope value can be separated using a Tafel
slope plot, where a constant Tafel slope region indicates kinetic meaningfulness. Here, we …

Reactive capture and electrochemical conversion of CO 2 with ionic liquids and deep eutectic solvents

S Dongare, M Zeeshan, AS Aydogdu, R Dikki… - Chemical Society …, 2024‏ - pubs.rsc.org
Ionic liquids (ILs) and deep eutectic solvents (DESs) have tremendous potential for reactive
capture and conversion (RCC) of CO2 due to their wide electrochemical stability window …

Promoting CO2 Electroreduction to Multi‐Carbon Products by Hydrophobicity‐Induced Electro‐Kinetic Retardation

M Zhuansun, Y Liu, R Lu, F Zeng, Z Xu… - Angewandte Chemie …, 2023‏ - Wiley Online Library
Advancing the performance of the Cu‐catalyzed electrochemical CO2 reduction reaction
(CO2RR) is crucial for its practical applications. Still, the wettable pristine Cu surface often …

A covalent molecular design enabling efficient CO2 reduction in strong acids

Q Zhang, CB Musgrave III, Y Song, J Su, L Huang… - Nature …, 2024‏ - nature.com
Molecular complexes are an important class of catalysts for the electrochemical carbon
dioxide reduction reaction (CO2RR). However, selective CO2RR in strong acids remains …

Potassium ion modulation of the Cu electrode-electrolyte interface with ionomers enhances CO2 reduction to C2+ products

GP Heim, MA Bruening, CB Musgrave, WA Goddard… - Joule, 2024‏ - cell.com
Ionomers have shown promise as organic coatings on Cu electrodes to increase the CO 2
reduction (CO 2 R) selectivity toward multi-carbon (C 2+) products. However, the effects of …

Electrochemical CO2 Reduction in Acidic Electrolytes: Spectroscopic Evidence for Local pH Gradients

MH Hicks, W Nie, AE Boehme, HA Atwater… - Journal of the …, 2024‏ - ACS Publications
Inspired by recent advances in electrochemical CO2 reduction (CO2R) under acidic
conditions, herein we leverage in situ spectroscopy to inform the optimization of CO2R at …

Directing CO2 electroreduction pathways for selective C2 product formation using single-site doped copper catalysts

Z Li, P Wang, X Lyu, VKR Kondapalli, S **ang… - Nature Chemical …, 2024‏ - nature.com
Manipulating the selectivity-determining step in post-C–C coupling is crucial for enhancing
C2 product specificity during electrocatalytic CO2 reduction, complementing efforts to boost …

CO2 Conversion to Butene via a Tandem Photovoltaic–Electrochemical/Photothermocatalytic Process: A Co-design Approach to Coupled Microenvironments

KMK Yap, A Aitbekova, M Salazar, TA Kistler… - ACS Energy …, 2024‏ - ACS Publications
We developed a tandem, unassisted, solar-driven electrochemical and photothermocatalytic
process for the single-pass conversion of CO2 to butene using only simulated solar …