Determining the orderliness of carbon materials with nanoparticle imaging and explainable machine learning

Mikhail Yu. Kurbakov, Valentina V. Sulimova, Andrei V. Kopylov, Oleg S. Seredin, Daniil A. Boiko, Alexey S. Galushko, Vera A. Cherepanova and Valentine P. Ananikov

Nanoscale, 2024, 16, 13663
DOI: 10.1039/D4NR00952E

Triazine derivatives as metal-free electrocatalysts: do three nitrogen atoms mimic a metal?

Olga Lebedeva, Dmitry Kultin, Valery Zakharov, Irina Kuznetsova, Leonid Aslanov and Leonid Kustov

Sustainable Energy Fuels, 2025, 9, 1464
DOI: 10.1039/D4SE01751J

Interfacial electronic modulation in heterostructured OER electrocatalysts: a review

Xianglong Dai, Yechen Qian, Zijia Xu, Aini Xiong, Xiaoyang Zhang, Lichao Chen and Wenyao Li

Nanoscale, 2025, 17, 23854
DOI: 10.1039/D5NR03055B

Finding the Pareto front for high-entropy-alloy catalysts

Chengyi Zhang, Ruihu Lu, Qi Sun, Yu Mao, Tilo Söhnel, Yan Zhao, Donald G. Truhlar and Ziyun Wang

Chem. Sci., 2026, 17, 4744
DOI: 10.1039/D5SC06100H

CatBot – a high-throughput catalyst synthesis and testing system with roll to roll transfer

Paolo Vincenzo Freiesleben de Blasio, Rune Kruger, Nis Fisker-Bødker, Jin Hyun Chang and Christodoulos Chatzichristodoulou

Digital Discovery, 2025, 4, 3810
DOI: 10.1039/D5DD00403A

Adaptive representation of molecules and materials in Bayesian optimization

Mahyar Rajabi-Kochi, Negareh Mahboubi, Aseem Partap Singh Gill and Seyed Mohamad Moosavi

Chem. Sci., 2025, 16, 5464
DOI: 10.1039/D5SC00200A

Interpretable graph methods for determining nanoparticles ordering in electron microscopy image

M.Y. Kurbakov, V.V. Sulimova, O.S. Seredin and A.V. Kopylov

Computer Optics, 2025, 470
DOI: 10.18287/2412-6179-CO-1568

Advancing Insights into Electrochemical Pre‐Treatments of Supported Nanoparticle Electrocatalysts by Combining a Design of Experiments Strategy with In Situ Characterization

Aniket S. Mule, Kevin Tran, Ashton M. Aleman, Yamile E. Cornejo‐Carrillo, Gaurav A. Kamat, Michaela Burke Stevens and Thomas F. Jaramillo

Advanced Energy Materials, 2024, 14
DOI: 10.1002/aenm.202401939

What do we know about the electrochemical stability of high-entropy alloys?

Tatiana Priamushko, Attila Kormányos and Serhiy Cherevko

Current Opinion in Chemical Engineering, 2024, 44, 101020
DOI: 10.1016/j.coche.2024.101020

Shortening Accelerated Stress Tests: An Identical Charge Approach for Oxygen Evolution Reaction Electrocatalysts

Philipp L. Darge, Nico C. Röttcher, Matej Zlatar, Karl J. J. Mayrhofer, Serhiy Cherevko and Dominik Dworschak

ACS Catal., 2025, 15, 10336
DOI: 10.1021/acscatal.5c01464

Artificial intelligence-guided design of manufactured sand concrete with targeted performance

Yifei Chen, Qing-feng Liu, Qing Xiang Xiong, Kanghao Tan, Wen Zhu and Weibo Shen

Engineering Applications of Artificial Intelligence, 2026, 165, 113424
DOI: 10.1016/j.engappai.2025.113424

The emergence of automation in electrochemistry

Michael A. Pence, Gavin Hazen and Joaquín Rodríguez-López

Current Opinion in Electrochemistry, 2025, 51, 101679
DOI: 10.1016/j.coelec.2025.101679

Accelerating Combinatorial Electrocatalyst Discovery with Bayesian Optimization: a Case Study in the Quaternary System Ni‐Pd‐Pt‐Ru for the Oxygen Evolution Reaction

Felix Thelen, Rico Zehl, Ridha Zerdoumi, Jan Lukas Bürgel, Lars Banko, Wolfgang Schuhmann and Alfred Ludwig

Advanced Science, 2025, 12
DOI: 10.1002/advs.202507302

Discovery of High-Performance Ni0.62Fe0.23Ce0.15O Electrocatalyst for Oxygen Evolution Reaction via Active Machine Learning

Miaomiao Xue, Wenxuan Fan, Zaibin Xue, Xudong Xu, Zeyang Zhang, Xinyue Hu, Xiaoran Lu, Liming Wu, Mingkai Liu, Zijian Tian, Zhenyuan Teng, Qilun Wang, Yan Yan and Bin Liu

ACS Nano, 2026, 20, 4572
DOI: 10.1021/acsnano.5c20812

Review on Advancements in Catalyst Development for Hydrogen Generation and Fuel Cells: Strategies, Challenges, and Future Prospects

Rabinarayan Swain and Seethiraju D. Ramarao

ECS Adv., 2026, 5, 014501
DOI: 10.1149/2754-2734/ae43da

Recent Advances in the Large‐Scale Production of Photo/Electrocatalysts for Energy Conversion and beyond

Jinhao Li, Zixian Li, Qiuhong Sun, Yujun Wang, Yang Li, Yung‐Kang Peng, Ye Li, Ce Zhang, Bin Liu and Yufei Zhao

Advanced Energy Materials, 2024, 14
DOI: 10.1002/aenm.202402441

Developing machine learning for heterogeneous catalysis with experimental and computational data

Carlota Bozal-Ginesta, Sergio Pablo-García, Changhyeok Choi, Albert Tarancón and Alán Aspuru-Guzik

Nat Rev Chem, 2025, 9, 601
DOI: 10.1038/s41570-025-00740-4

Non-precious metal catalysts for acidic water oxidation: From mechanism insights to electrocatalyst design

Zenghui Li, Xiaojing Wen, Yanguo Liu, Xiwei Qi, Zhiyuan Wang and Dan Wang

Journal of Alloys and Compounds, 2025, 1039, 183127
DOI: 10.1016/j.jallcom.2025.183127

High-Throughput Electrochemistry Using Scanning Electrochemical Cells

Joanna M. Przybysz, Ken Jenewein and Serhiy Cherevko

ACS Electrochem., 2026
DOI: 10.1021/acselectrochem.5c00440

Key Aspects in Designing High-Throughput Workflows in Electrocatalysis Research: A Case Study on IrCo Mixed-Metal Oxides

Joanna M. Przybysz, Ken J. Jenewein, Mária Minichová, Tomáš Hrbek, Thomas Böhm, Tatiana Priamushko and Serhiy Cherevko

ACS Materials Lett., 2024, 6, 5103
DOI: 10.1021/acsmaterialslett.4c01372

In Situ ORR Dynamics of Non-Precious Transition Metal Electrocatalysts: the Case of Manganese Antimony X-ides

Gaurav A. Kamat, Melissa E. Kreider, Johanna Schröder, Roulince B. Dukuly, Joseph T. Perryman, Bjørt O. Joensen, Jesse E. Matthews, Ashton M. Aleman, Michaela Burke Stevens and Thomas F. Jaramillo

ACS Catal., 2024, 14, 15683
DOI: 10.1021/acscatal.4c03260

Development of aluminum oxide slurries for additive manufacturing by Bayesian optimization

Johannes Schubert, Pascal Friederich, Benedikt Burchard and Frederik Zanger

Open Ceramics, 2024, 20, 100705
DOI: 10.1016/j.oceram.2024.100705

Accelerated Catalyst Development via Kinetically Controlled Solid‐State Laser Synthesis and Automated Electrochemical Screening

Mattis Goßler, Huize Wang, Joanna Przybysz, Faisal Gabi Sameer Aldabain, A. Lucía Morales, Andreas Körner, Andreas Göpfert, Andreas Hutzler, Serhiy Cherevko and Marc Ledendecker

Small, 2026, 22
DOI: 10.1002/smll.202511035

Machine learning for catalyst optimization: Outlier detection and material innovation

Alireza Mashayekhi, Sepehr Khazraei and Jack Bekou

Applied Catalysis A: General, 2025, 705, 120434
DOI: 10.1016/j.apcata.2025.120434

Oxygen Evolution Reaction Catalysts for Acidic‐Media CO2 Electrolyzers

Mingcheng Huang and Adnan Ozden

Advanced Materials, 2026
DOI: 10.1002/adma.72644

Scanning Gas Diffusion Electrode Setup for Real-Time Analysis of Catalyst Layers

Ina Reichmann, Vicent Lloret, Konrad Ehelebe, Pascal Lauf, Ken Jenewein, Karl J. J. Mayrhofer and Serhiy Cherevko

ACS Meas. Sci. Au, 2024, 4, 515
DOI: 10.1021/acsmeasuresciau.4c00018

Machine learning-guided design, synthesis, and characterization of atomically dispersed electrocatalysts

Sirui Li, Hanguang Zhang, Edward F. Holby, Piotr Zelenay and Wilton J.M. Kort-Kamp

Current Opinion in Electrochemistry, 2024, 48, 101578
DOI: 10.1016/j.coelec.2024.101578

Investigation of Effect of Heterovalent Element Doping on Ionic Conductivity in Li₃InCl₆ System Using Neural-network Potential

Takeshi USAMI, Koichi GOCHO, Naoto TANIBATA, Hayami TAKEDA and Masanobu NAKAYAMA

Electrochemistry, 2024, 92, 117001
DOI: 10.5796/electrochemistry.24-00088

Active Learning‐Driven Discovery of Sub‐2 Nm High‐Entropy Nanocatalysts for Alkaline Water Splitting

Sakthivel Perumal, Da Bean Han, Thandapani Marimuthu, Taewaen Lim, Hyun Woo Kim and Junhyeok Seo

Adv Funct Materials, 2025, 35
DOI: 10.1002/adfm.202424887

Transition metal sulfide electrocatalysts for water Splitting: Bridging computational design and experimental advancements

Nighat Javed, Ijaz Ahmad Khan, Amjad Farid and Kiran Aftab

Journal of Power Sources, 2025, 656, 238057
DOI: 10.1016/j.jpowsour.2025.238057

Machine Learning-Assisted Development of Platinum-Free RuNiCo Nanocages for Electrocatalytic Hydrogen Oxidation Reaction in Acidic Media

Colin A. Tadgell, Masaru Kato, Sae Dieb, Keitaro Sodeyama, Takahito Hoshi, Koshiro Suzuki, Bohao Du, Takeshi Watanabe and Ichizo Yagi

ACS Appl. Energy Mater., 2025, 8, 14052
DOI: 10.1021/acsaem.5c02113

FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction

Nis Fisker‐Bødker, Enzo Raffaele Moretti, Jin Hyun Chang and Tejs Vegge

adv. intell. discov., 2025
DOI: 10.1002/aidi.202500138

Accelerated Discovery of High Performance Ni3S4/Ni3Mo HER Catalysts via Bayesian Optimization

Namuersaihan Namuersaihan, Zhiqiang Zhao, Oliver J. Conquest, Ying Shu, Haoyue Sun, Chunjing Su, Qi Cheng, Aloysius Soon, Catherine Stampfl and Jun Huang

Adv Funct Materials, 2026
DOI: 10.1002/adfm.202528363

Synthesis‐Driven Functionality in High‐Entropy Materials

Anurag Khandelwal, George Mathew, Subramshu Bhattacharya, Alexander Colsmann, Gabriel Cadilha Marques, Miriam Botros, Florian Strauss, Jiangyuan Xing, John Silvister Raju, Arivazhagan Ponnusamy, Jasmin Aghassi‐Hagmann, Torsten Brezesinski, Simon Schweidler and Ben Breitung

Small, 2025, 21
DOI: 10.1002/smll.202501703

Key requirements for advancing machine learning approaches in single entity electrochemistry

Viacheslav Shkirskiy and Frédéric Kanoufi

Current Opinion in Electrochemistry, 2024, 46, 101526
DOI: 10.1016/j.coelec.2024.101526

Bridge‐Oxygen Bond: An Active Group for Energy Electrocatalysis

Nana Zhang, Zilan Zhang, Siwei Yan, Rui Zhang, Pengfei Yin, Xiwen Du and Hui Liu

Adv Funct Materials, 2025, 35
DOI: 10.1002/adfm.202500351

Revealing Dynamic Surface and Subsurface Reconstruction of High-Entropy Alloy Electrocatalysts during the Oxygen Evolution Reaction at the Atomic Scale

Chenglong Luan, Daniel Escalera-López, Ulrich Hagemann, Aleksander Kostka, Guillaume Laplanche, Dongshuang Wu, Serhiy Cherevko and Tong Li

ACS Catal., 2024, 14, 12704
DOI: 10.1021/acscatal.4c02792

Accelerating multimetallic catalyst discovery with robotics and agentic AI

Jiayu Peng, Chuanyu Liu, Yiwen Luo and Kritarth Dandapat

AI Agent, 2025, 1
DOI: 10.20517/aiagent.2025.07