Linking Synthetic Materials Chemistry to Electrocatalytic Performance

Synthetic materials chemistry is the central foundation for advancing the design of solid-state electrocatalysts, where control over synthetic properties such as phase, composition, crystallinity, defect density, oxidation state, coordination environment, morphology, particle size, and electrical conductivity determine electrochemical performance descriptors. These descriptors include nature of active sites, number of active sites, mass and charge transport, and the local reaction environment, which collectively govern electrocatalytic peformance (ECP), namely activity, selectivity, and durability. In this review, we highlight the synthetic strategies currently employed in the electrocatalysis literature and show how they enable control over the properties of the in situ-formed active catalyst and its ECP. After highlighting the state of the art, we discuss how new developments in in situ analytics, data-driven discovery, and autonomous robotics could further improve the understanding, predictability, reproducibility, and throughput of materials synthesis. With these advancements, synthetic materials chemistry will remain a key driving force for electrocatalyst development.

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Publication Details

Journal
Angewandte Chemie International Edition
Published
2026-05-21
DOI
https://doi.org/10.1002/anie.4318027
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

Linking Synthetic Materials Chemistry to Electrocatalytic Performance

Debabrata Bagchi, Tobias Sontheimer, Prashanth W. Menezes, J. Niklas Hausmann
Angewandte Chemie International Edition
Machine Learning in Materials Science
article

Linking Synthetic Materials Chemistry to Electrocatalytic Performance

Debabrata Bagchi, Tobias Sontheimer, Prashanth W. Menezes, J. Niklas Hausmann
article en

Abstract

Synthetic materials chemistry is the central foundation for advancing the design of solid-state electrocatalysts, where control over synthetic properties such as phase, composition, crystallinity, defect density, oxidation state, coordination environment, morphology, particle size, and electrical conductivity determine electrochemical performance descriptors. These descriptors include nature of active sites, number of active sites, mass and charge transport, and the local reaction environment, which collectively govern electrocatalytic peformance (ECP), namely activity, selectivity, and durability. In this review, we highlight the synthetic strategies currently employed in the electrocatalysis literature and show how they enable control over the properties of the in situ-formed active catalyst and its ECP. After highlighting the state of the art, we discuss how new developments in in situ analytics, data-driven discovery, and autonomous robotics could further improve the understanding, predictability, reproducibility, and throughput of materials synthesis. With these advancements, synthetic materials chemistry will remain a key driving force for electrocatalyst development.

Angewandte Chemie International Edition
University of Southern Queensland (AU), Helmholtz-Zentrum Berlin für Materialien und Energie (DE)
Industry, innovation and infrastructure
Openalex Percentile: Top 11%
Machine Learning in Materials Science
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