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 …

Structure and reactivity/selectivity control by oriented-external electric fields

S Shaik, R Ramanan, D Danovich… - Chemical Society …, 2018 - pubs.rsc.org
This is a tutorial on use of external-electric-fields (EEFs) as effectors of chemical change.
The tutorial instructs readers how to conceptualize and design electric-field effects on bonds …

Boosting the performance of single-atom catalysts via external electric field polarization

Y Pan, X Wang, W Zhang, L Tang, Z Mu, C Liu… - Nature …, 2022 - nature.com
Single-atom catalysts represent a unique catalytic system with high atomic utilization and
tunable reaction pathway. Despite current successes in their optimization and tailoring …

Spontaneous reduction-induced degradation of viologen compounds in water microdroplets and its inhibition by host–guest complexation

C Gong, D Li, X Li, D Zhang, D Xing… - Journal of the …, 2022 - ACS Publications
Water serves as an inert environment for the dispersion and application of many kinds of
herbicides. Viologen compounds, a type of widely used but highly toxic herbicide, are stable …

Opportunities for Electrocatalytic CO2 Reduction Enabled by Surface Ligands

Q Zhu, CJ Murphy, LR Baker - Journal of the American Chemical …, 2022 - ACS Publications
To achieve high selectivity in enzyme catalysis, nature carefully controls both the catalyst
active site and the pocket or environment that mediates access and the geometry of a …

High electric fields on water microdroplets catalyze spontaneous and fast reactions in halogen-bond complexes

C Zhu, LN Pham, X Yuan, H Ouyang… - Journal of the …, 2023 - ACS Publications
The use of external electric fields as green and efficient catalysts in synthetic chemistry has
recently received significant attention for their ability to deliver remarkable control of reaction …

Electric fields in catalysis: From enzymes to molecular catalysts

NG Léonard, R Dhaoui, T Chantarojsiri, JY Yang - ACS catalysis, 2021 - ACS Publications
Electric fields underlie all reactions and impact reactivity by interacting with the dipoles and
net charges of transition states, products, and reactants to modify the free energy landscape …

Selective CO2 electrocatalysis at the pseudocapacitive nanoparticle/ordered-ligand interlayer

D Kim, S Yu, F Zheng, I Roh, Y Li, S Louisia, Z Qi… - Nature Energy, 2020 - nature.com
Enzymes feature the concerted operation of multiple components around an active site,
leading to exquisite catalytic specificity. Realizing such configurations on synthetic catalyst …

A review on the thermomechanical properties and biodegradation behaviour of polyesters

A Larrañaga, E Lizundia - European Polymer Journal, 2019 - Elsevier
The increasing societal concerns about the environmental impact of plastic waste, together
with the depletion of petroleum resources, makes it imperative to develop environmentally …

Elucidating the roles of electric fields in catalysis: a perspective

F Che, JT Gray, S Ha, N Kruse, SL Scott… - ACS …, 2018 - ACS Publications
This Perspective illustrates how the presence of internal and external electric fields can
affect catalytic activity and selectivity, with a focus on heterogeneous catalysts. Specifically …