Optimizing reaction rates in heterogeneous electrocatalysis requires a solid, fundamental
understanding of the interplay between mass transport and the intrinsic reaction kinetics at …

Coupled proton–electron transfer (CPET) reactions are likely to play a pivotal role in the
global transition to a sustainable energy future. However, our atomic scale understanding of …

We propose the Systems-to-Atoms (S2A) modeling framework that integrates the kinetics of
reaction chemistry and structural configurations across various length scales with the aim of …

The accelerated scale-up and deployment of carbon management technologies are critical
steps to avoid the worst impacts of climate change. Many of these technologies involve …

Multiphysics modeling enables probing of conditions inside a CO2 electrolyzer that are
difficult to measure, such as local concentrations and pH, as well as rapid testing of possible …

The transition from fossil fuels to renewable energy has brought about a rapid increase in
the availability of clean electricity. However, electricity generated from sources such as wind …

We present a methodology for modelling gas diffusion electrodes with Cu-based catalysts.
The applicability of the Butler Volmer equation (B-Ve) based on Tafel analysis is limited to …