Work

Electric Double Layer Effects in Electrocatalysis: Insights from Ab Initio Simulation and Hierarchical Continuum Modeling

Year: 2023

Type: article

Abstract: Structures of the electric double layer (EDL) at electrocatalytic interfaces, which are modulated by the material properties, the electrolyte characteristics (e.g., the pH, the types and concentrations of ions), and the electrode potential, play crucial roles in the reaction kinetics. Understanding the EDL effects in electrocatalysis has attracted substantial research interest in recent years. However, the intrinsic relationships between the specific EDL structures and electrocatalytic kinetics remain poorly understood, especially on the atomic scale. In this Perspective, we briefly review the recent advances in deciphering the EDL effects mainly in hydrogen and oxygen electrocatalysis through a multiscale approach, spanning from the atomistic scale simulated by ab initio methods to the macroscale by a hierarchical approach. We highlight the importance of resolving the local reaction environment, especially the local hydrogen bond network, in understanding EDL effects. Finally, some of the remaining challenges are outlined, and an outlook for future developments in these exciting frontiers is provided.

Source: JACS Au

DOI: 10.1021/jacsau.3c00410

Authors: Peng Li, Yuzhou Jiao, Jun Huang, Shengli Chen

Institutions: Wuhan University, Forschungszentrum Jülich, RWTH Aachen University

Language: English

Topic: Electrocatalysts for Energy Conversion

Subfield: Renewable Energy, Sustainability and the Environment

Field: Energy

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: gold

Estimated APC paid: $5,000