2026 Roadmap on compositionally complex and high entropy materials for energy applications
Abstract
In the study of complex systems, the intricate interdependence among individual components leads to emergent properties that cannot be solely attributed to the properties of the components themselves. This principle is central to compositionally complex materials (CCMs), where interactions between different elements introduced into the structure result in unprecedented material properties. The emergence of high-entropy materials (HEMs) in 2004 further increased complexity by introducing high configurational entropy (S config ), which can contribute to stabilizing single-phase solid solutions by counterbalancing enthalpic driving forces for phase separation. HEMs and CCMs represent an emerging family of materials where multiple principal elements occupy equivalent crystallographic sites. This atomic architecture gives rise to extraordinary properties such as tailorable electronic structures, lattice distortion effects, and synergistic interactions, with their vast combinatorial design space enabling the tuning of these effects across a wide range of compositions. Although the field is still in its infancy, early discoveries highlight their disruptive potential, particularly in energy technologies where robustness and durability are critical. Their exceptional thermal stability, corrosion resistance, and electro-chemo-mechanical durability position HEMs and CCMs as game-changers for applications demanding resilience under harsh operating conditions, such as batteries, fuel cells, and hydrogen storage systems. Beyond performance advantages, CCMs challenge traditional materials discovery frameworks. Their extensive design space makes conventional trial-and-error approaches impractical, creating an ideal platform for deploying AI-driven high-throughput computational screening, multiscale modeling, and autonomous experimental workflows. This convergence of complexity and innovation offers unprecedented opportunities to accelerate the identification of next-generation energy materials. This roadmap compiles insights from leading experts in the field of CCMs across key energy domains, including electrochemical storage, catalysis, thermoelectrics, and turbomachinery. Their contributions critically assess the current state of this material family, highlighting unresolved scientific challenges, technological barriers, and the key advancements needed to move beyond the current state-of-the-art. Special emphasis is placed on combinatorial synthesis and high-throughput approaches and their potential to trigger exponential development of this emerging family of materials. Focused on energy applications, this roadmap provides a comprehensive overview of a time-critical topic, emphasizing the need for material innovation and joint efforts from academia and industry.
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BibTeX
@article{tarancon20262026,
title = {{2026 Roadmap on compositionally complex and high entropy materials for energy applications}},
author = {Albert Tarancón and Miriam Botros and Bhanu P Gangwar and Krishanu Biswas and Simon Divilov and Hagen Eckert and Rico Friedrich and Arrigo Calzolari and Stefano Curtarolo and Alfred Ludwig and Florian Strauss and Torsten Brezesinski and Ben Breitung and Maximilian Fichtner and Ren He and Andreu Cabot and Juliusz Dąbrowa and Jin-Tao Ren and Zhong-Yong Yuan and Claudia Zlotea and Vitalie Stavila and Shuhuan Yang and Mingyuan Hu and Haifeng Li and Jiaqing He and Anke Silvia Ulrich and Maren Lepple},
journal = {JPhys Energy},
year = {2026},
month = sep,
doi = {10.1088/2515-7655/ae57d9},
url = {https://hal.science/hal-05743409v1},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - 2026 Roadmap on compositionally complex and high entropy materials for energy applications
AU - Albert Tarancón
AU - Miriam Botros
AU - Bhanu P Gangwar
AU - Krishanu Biswas
AU - Simon Divilov
AU - Hagen Eckert
AU - Rico Friedrich
AU - Arrigo Calzolari
AU - Stefano Curtarolo
AU - Alfred Ludwig
AU - Florian Strauss
AU - Torsten Brezesinski
AU - Ben Breitung
AU - Maximilian Fichtner
AU - Ren He
AU - Andreu Cabot
AU - Juliusz Dąbrowa
AU - Jin-Tao Ren
AU - Zhong-Yong Yuan
AU - Claudia Zlotea
AU - Vitalie Stavila
AU - Shuhuan Yang
AU - Mingyuan Hu
AU - Haifeng Li
AU - Jiaqing He
AU - Anke Silvia Ulrich
AU - Maren Lepple
PY - 2026
DA - 2026/09/09
JO - JPhys Energy
DO - 10.1088/2515-7655/ae57d9
UR - https://hal.science/hal-05743409v1
AB - In the study of complex systems, the intricate interdependence among individual components leads to emergent properties that cannot be solely attributed to the properties of the components themselves. This principle is central to compositionally complex materials (CCMs), where interactions between different elements introduced into the structure result in unprecedented material properties. The emergence of high-entropy materials (HEMs) in 2004 further increased complexity by introducing high configurational entropy (S config ), which can contribute to stabilizing single-phase solid solutions by counterbalancing enthalpic driving forces for phase separation. HEMs and CCMs represent an emerging family of materials where multiple principal elements occupy equivalent crystallographic sites. This atomic architecture gives rise to extraordinary properties such as tailorable electronic structures, lattice distortion effects, and synergistic interactions, with their vast combinatorial design space enabling the tuning of these effects across a wide range of compositions. Although the field is still in its infancy, early discoveries highlight their disruptive potential, particularly in energy technologies where robustness and durability are critical. Their exceptional thermal stability, corrosion resistance, and electro-chemo-mechanical durability position HEMs and CCMs as game-changers for applications demanding resilience under harsh operating conditions, such as batteries, fuel cells, and hydrogen storage systems. Beyond performance advantages, CCMs challenge traditional materials discovery frameworks. Their extensive design space makes conventional trial-and-error approaches impractical, creating an ideal platform for deploying AI-driven high-throughput computational screening, multiscale modeling, and autonomous experimental workflows. This convergence of complexity and innovation offers unprecedented opportunities to accelerate the identification of next-generation energy materials. This roadmap compiles insights from leading experts in the field of CCMs across key energy domains, including electrochemical storage, catalysis, thermoelectrics, and turbomachinery. Their contributions critically assess the current state of this material family, highlighting unresolved scientific challenges, technological barriers, and the key advancements needed to move beyond the current state-of-the-art. Special emphasis is placed on combinatorial synthesis and high-throughput approaches and their potential to trigger exponential development of this emerging family of materials. Focused on energy applications, this roadmap provides a comprehensive overview of a time-critical topic, emphasizing the need for material innovation and joint efforts from academia and industry.
SN - 2515-7655
ER -