High-Entropy Alloys as a Discovery Platform for Electrocatalysis

Nanostructured High‐Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes

Yeh, J. ‐., Chen, S. ‐., Lin, S. ‐., Gan, J. ‐., Chin, T. ‐., Shun, T. ‐., Tsau, C. ‐., & Chang, S. ‐. (2004) · Advanced Engineering Materials · doi:10.1002/adem.200300567 · Cited by 15,281

Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153

Microstructural development in equiatomic multicomponent alloys

Cantor, B., Chang, I. T. H., Knight, P., & Vincent, A. J. B. (2004) · Materials Science and Engineering A · doi:10.1016/j.msea.2003.10.257 · Cited by 10,215

A critical review of high entropy alloys and related concepts

Miracle, D. B., & Senkov, O. N. (2016) · Acta Materialia · doi:10.1016/j.actamat.2016.08.081 · Cited by 9,065

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Hammer, B., Hansen, L. B., & Nørskov, J. K. (1999) · Physical Review B · doi:10.1103/physrevb.59.7413 · Cited by 8,270

The atomic simulation environment—a Python library for working with atoms

Larsen, A. H., Mortensen, J. J., Blomqvist, J., Castelli, I. E., Christensen, R., Dułak, M., Friis, J., Groves, M. N., Hammer, B., Hargus, C., et al. (2017) · Journal of Physics Condensed Matter · doi:10.1088/1361-648x/aa680e · Cited by 4,790

Improved Oxygen Reduction Activity on Pt 3 Ni(111) via Increased Surface Site Availability

Stamenkovic, V. R., Fowler, B., Mun, B. S., Wang, G., Ross, P. N., Lucas, C. A., & Marković, N. M. (2007) · Science · doi:10.1126/science.1135941 · Cited by 4,421

Theoretical surface science and catalysis—calculations and concepts

Hammer, B., & Nørskov, J. K. (2000) · Advances in Catalysis · doi:10.1016/s0360-0564(02)45013-4 · Cited by 3,972

Solid‐Solution Phase Formation Rules for Multi‐component Alloys

Zhang, Y., Zhou, Y., Lin, J., Chen, G. L., & Liaw, P. K. (2008) · Advanced Engineering Materials · doi:10.1002/adem.200700240 · Cited by 3,484

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

Greeley, J., Stephens, I. E. L., Bondarenko, A. S., Johansson, T. P., Hansen, H. A., Jaramillo, T. F., Rossmeisl, J., Chorkendorff, I., & Nørskov, J. K. (2009) · Nature Chemistry · doi:10.1038/nchem.367 · Cited by 3,203

High-Entropy Alloys for Electrocatalytic Water Oxidation: Recent Advances on Mechanism and Design

Liu, L., Ding, X., Qin, H., Tang, S., Xu, L., & Song, F. (2025) · Chemistry · doi:10.3390/chemistry7060190 · Cited by 10

Boron-Doped NiCoCuMoMn High-Entropy Alloys for Enhanced Electrocatalytic Water Splitting: An Experimental and Computational Study

Mahdavi, H., Mansoor, M., Ergen, O., Ünal, U., & Jahangiri, H. (2025) · ACS Applied Energy Materials · doi:10.1021/acsaem.5c02722 · Cited by 10

Combination of Rapid Intrinsic Activity Measurements and Machine Learning as a Screening Approach for Multicomponent Electrocatalysts

Liu, C., Ding, Y., Guan, Y., Tang, J., Jiang, C., Gao, H., Xu, J., Zhao, J., & Lu, L. (2023) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.3c07442 · Cited by 10

Quantitative prediction of surface energy of high-entropy-alloys based on intrinsic descriptors

Yang, Z. K., Li, X., & Gao, W. (2023) · Surfaces and Interfaces · doi:10.1016/j.surfin.2023.103442 · Cited by 10

Nanoflower‐Like High‐Entropy Co‐Fe‐Cr‐Mo‐Mn Spinel for Oxygen Evolution

Sun, Y., Tang, T., Xiao, L., Han, J., Bai, X. F., Shi, M., Chen, S., Sun, J., Ma, Y., & Guan, J. (2023) · Chemistry - A European Journal · doi:10.1002/chem.202303779 · Cited by 10

Machine-Learning Accelerated DFT to Predict Activation Energies on Amorphous Nanocatalysts for the Chlorine Evolution Reaction

Zhang, X., Chen, H., Li, K., Wen, B., Ma, J., & Wu, Q. J. (2024) · ACS Applied Nano Materials · doi:10.1021/acsanm.4c01765 · Cited by 10

Correlating Nitrate Adsorption with the Local Environments of FeCoNiCuZn High-Entropy Alloy Catalysts Using Machine Learning

He, X. M. (2024) · Langmuir · doi:10.1021/acs.langmuir.4c01071 · Cited by 10

Enhanced CO2 hydrogenation performance of CoCrNiFeMn high entropy alloys

Su, C., Wang, L., Zou, S., Zhang, X., Sun, H., Liu, X., Li, C., Jiang, Y., Li, X., Li, J., et al. (2024) · Materials Today Sustainability · doi:10.1016/j.mtsust.2024.101006 · Cited by 10

Recent progress in alkaline electrocatalytic hydrogen oxidation reaction: Mechanisms, catalysts design and perspectives

Wu, J., Kang, Z., & Zhang, X. (2025) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2024.216427 · Cited by 10

Prospects of using high entropy oxides as catalysts for the oxygen evolution reaction

Svane, K. L. (2025) · Current Opinion in Electrochemistry · doi:10.1016/j.coelec.2025.101670 · Cited by 10

Electrochemical Dissolution: Paths in High-Entropy Alloy Composition Space

Plenge, M. K., Pedersen, J. K., Cipriano, L. A., & Rossmeisl, J. (2025) · High Entropy Alloys & Materials · doi:10.1007/s44210-025-00057-3 · Cited by 10

Structural reorganization of high-entropy alloy CoNiCuMoZn for enhanced hydrogen evolution performance

Niu, H., Yuan, J., Su, Y., Ma, L., Xiao, S., Song, D., Xiong, X., Ren, Q., & Wang, G. (2025) · Journal of Colloid and Interface Science · doi:10.1016/j.jcis.2025.138024 · Cited by 11

Ultrasmall high-entropy alloy-nanolabels based immunochromatographic test strip for rapid, ultrasensitive, and catalytic detection of Staphylococcus aureus

Huang, W., Ren, Z. X., Li, X., Chen, R., Fan, D., Da, J., Zha, Y., & Yongjie, X. (2025) · Microchimica Acta · doi:10.1007/s00604-025-07213-x · Cited by 10

Morphological, structural and compositional evolution of PtPdFeCoNi high-entropy alloy nanoparticles towards bifunctional oxygen electrocatalysis

Jain, P., Hosseini, P., Kostka, A., Budiyanto, E., Diehl, P., Muhler, M., Tüysüz, H., Wu, D., & Li, T. (2025) · Faraday Discussions · doi:10.1039/d5fd00092k · Cited by 12

Boosting Screening of Nonequiatomic High-Entropy Electrocatalysts by Inverse Design via Active Graph Learning

Zhang, J., Su, W., Li, Y., Man, S., Liu, L., Zhao, S., & Xia, G. (2025) · ACS Catalysis · doi:10.1021/acscatal.5c05945 · Cited by 10

Machine learning-guided design of energy-related catalysts from nanoparticles to single-atom sites

Hu, Z., Wang, Z., Peng, Y., Gao, Z., Jin, C., Zhuang, Z. C., & Li, J. (2026) · Communications Chemistry · doi:10.1038/s42004-026-01967-y · Cited by 12

Surface energies and relaxation of NiCoCr and NiFe X ( X = Cu, Co or Cr) equiatomic multiprincipal element alloys from first principles calculations

Li, W., Peng, X., Ngan, A. H. W., & El‐Awady, J. A. (2021) · Modelling and Simulation in Materials Science and Engineering · doi:10.1088/1361-651x/ac3e07 · Cited by 10

Direct Laser Writing of Multimetal Bifunctional Catalysts for Overall Water Splitting

McGee, S., Fest, A., Chandler, C., Nova, N. N., Lei, Y., Goff, J., Sinnott, S. B., Dabo, I., Terrones, M., & Zarzar, L. D. (2023) · ACS Applied Energy Materials · doi:10.1021/acsaem.2c03973 · Cited by 10

Constructing ultrafine Pt nanoparticles anchored on N-doped porous carbon nanofibers for efficient and stable oxygen reduction reaction

Li, X., Li, G., Deng, C., Jing, L., Feng, C., Kong, Y., Jiang, X., Zhou, W., Chai, X., Yang, H., et al. (2023) · Science China Materials · doi:10.1007/s40843-023-2483-x · Cited by 10

First‐Principles Active‐Site Model Design for High‐Entropy‐Alloy Catalyst Screening: The Impact of Host Element Selection on Catalytic Properties

Rittiruam, M., Khamloet, P., Tantitumrongwut, P., Saelee, T., Khajondetchairit, P., Noppakhun, J., Ektarawong, A., Alling, B., Praserthdam, S., & Praserthdam, P. (2023) · Advanced Theory and Simulations · doi:10.1002/adts.202300327 · Cited by 10

Achieving favourable oxygen electrocatalytic activity with compositionally complex metal molybdates

Beere, H. K., Kulkarni, P., Maiti, U. N., Balakrishna, R. G., Mukherjee, P., Jung, H. Y., Samanta, K., & Ghosh, D. (2023) · Sustainable Energy & Fuels · doi:10.1039/d3se00736g · Cited by 10

Feature purify: An examination of spurious correlations in high-entropy alloys

Pan, Y., Hou, H., Pei, X., & Zhao, Y. (2024) · Materials & Design · doi:10.1016/j.matdes.2024.112785 · Cited by 9

Study of the adsorption sites of high entropy alloys for CO2 reduction using graph convolutional network

Oliaei, H., & Aluru, N. R. (2024) · APL Machine Learning · doi:10.1063/5.0198043 · Cited by 9

DFT and machine learning for predicting hydrogen adsorption energies on rocksalt complex oxides

Domínguez-Castro, A. (2024) · Theoretical Chemistry Accounts · doi:10.1007/s00214-024-03124-x · Cited by 9

Size‐Adjustable High‐Entropy Alloy Nanoparticles as an Efficient Platform for Electrocatalysis

Cai, H., Yang, H., He, S., Wan, D. P., Kong, Y., Li, D., Jiang, X., Zhang, X., Hu, Q. L., & He, C. (2024) · Angewandte Chemie · doi:10.1002/ange.202423765 · Cited by 9

High electrocatalytic performance of PtFeCoNiIr high-entropy alloys for alkaline hydrogen oxidation reactions

Zhao, L., Zhen, Y., Wang, Y., Jiang, Z., Li, S., Shi, Y., Yan, G., Xu, J., & Xing, W. (2025) · Applied Surface Science · doi:10.1016/j.apsusc.2025.162706 · Cited by 9

Enhancing photocatalytic activity of ultra-high-entropy rare-earth orthoferrites through ammonium nitrate-modified solution combustion synthesis

Long, B. M., Cam, T. S., Lebedev, L. A., Tikhanova, S. M., Stovpiaga, E. Y., Bachina, A. K., & Popkov, V. I. (2025) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2025.180212 · Cited by 9

Unraveling Element-Selective Local Structures in Multielement Alloy Nanoparticles with EXAFS

Nakamura, M., Wu, D., Mukoyoshi, M., Kusada, K., Hayashi, H., Toriyama, T., Yamamoto, T., Murakami, Y., Ashitani, H., Kawaguchi, S., et al. (2025) · ACS Nanoscience Au · doi:10.1021/acsnanoscienceau.5c00013 · Cited by 9

Progress in the fabrication and catalytic utilization of high entropy alloys particles

Xiao, M., Sun, H., & Hong, Z. (2025) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2025.06.200 · Cited by 10

Pt‐Based Electrocatalysts for Oxygen Reduction Reaction: Core–Shell Architectures and High‐Entropy Alloy Nanoparticles

Macheli, L., Leteba, G. M., George, S. L., Lang, C. I., & Jewell, L. L. (2025) · Advanced Energy and Sustainability Research · doi:10.1002/aesr.202500201 · Cited by 9

Non‐oxide High‐Entropy Ceramics for Oxygen Evolution Reaction: A Review

Wang, G., Guo, X., Lyu, L., Gan, R., Zheng, Y., Lee, H., & Shao, X. (2025) · Carbon Neutralization · doi:10.1002/cnl2.70048 · Cited by 9

Integrating High‐Entropy Alloy Nanocatalysts with Aligned Porous Air Electrode for High‐Power Zinc–Air Battery

Ren, R., Liang, T., Gong, Z., Liu, J., Lu, Z., Huang, K., Fei, H., & Ye, G. (2025) · Advanced Materials · doi:10.1002/adma.202513348 · Cited by 9

High entropy materials in electrocatalysis: A critical review of structure–property understanding

Marks, M. J., Gyenes, P., & Pittkowski, R. K. (2026) · Electrochimica Acta · doi:10.1016/j.electacta.2026.148495 · Cited by 10

Lattice distortion-driven electronic engineering of high-entropy alloys for efficient polysulfide catalysis in LiS batteries

Zhang, L., Wang, Y., Lin, B.-W., Liang, R.-R., Dang, T.-H., & Zhao, Z. (2026) · Chemical Engineering Journal · doi:10.1016/j.cej.2026.174481 · Cited by 9

Medium/High‐Entropy Amalgamated Core/Shell Nanoplate Achieves Efficient Formic Acid Catalysis for Direct Formic Acid Fuel Cell

Zhan, C., Bu, L., Sun, H., Huang, X., Zhu, Z., Tang, Y., Ma, H., Li, L., Wang, Y., Geng, H., et al. (2022) · Angewandte Chemie · doi:10.1002/ange.202213783 · Cited by 9

Composition-Dependent Near-Surface Structure of High-Entropy Alloy Catalysts for the Semihydrogenation of Alkynes

Liu, H., Zhang, L., Wang, K., Wang, L., Zhang, L., Yu, B., & Yang, F. L. (2023) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.3c00456 · Cited by 9

Machine Learning Based Electronic Structure Predictors in Single-Atom Alloys: A Model Study of CO Kink-Site Adsorption across Transition Metal Substrates

Shirani, J., Pham, H. D. M., Yuan, S., Tchagang, A., Valdés, J. J., & Bevan, K. H. (2023) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.3c02705 · Cited by 10

Overcoming the Chemical Complexity Bottleneck in on-the-Fly Machine Learned Molecular Dynamics Simulations

Timmerman, L. R., Kumar, S., Suryanarayana, P., & Medford, A. J. (2024) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.4c00474 · Cited by 11

Comparison of the structure and methanol electrooxidation ability from irregular PtNi nanocrystals to PtNiRu nanodendrites

Li, Z., Guan, Z., Chang, Y., Hu, D., Jin, B., & Bai, L. (2020) · CrystEngComm · doi:10.1039/c9ce01840a · Cited by 9

Predicting metal–metal interactions. II. Accelerating generalized schemes through physical insights

Choksi, T. S., Streibel, V., & Abild‐Pedersen, F. (2020) · The Journal of Chemical Physics · doi:10.1063/1.5141378 · Cited by 9

Design of compositionally complex catalysts: Role of surface segregation

Ferrari, A., & Körmann, F. (2021) · Journal of Materials Research and Technology · doi:10.1016/j.jmrt.2021.07.084 · Cited by 9

The Effect of Surface Oxygen Coverage on the Oxygen Evolution Reaction over a CoFeNiCr High-Entropy Alloy

Yuan, G., & Pestana, L. R. (2024) · Nanomaterials · doi:10.3390/nano14121058 · Cited by 9

Multifunctional High‐Entropy Alloys and Oxides for Self‐Powered Electrocatalytic Nitrate Reduction to Ammonia

Zhang, Q., Qiu, S., Wang, L., Lian, K., Luo, J. S., & Liu, X. (2025) · Chemistry - A European Journal · doi:10.1002/chem.202500887 · Cited by 8

Accelerated discovery of high entropy alloys with breakthrough hardness via inverse design strategy

Cai, S., Qian, Y., Lu, T., Che, H., Ji, X., Lu, W., Wang, G., & Zhou, W. (2025) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2025.181564 · Cited by 8

High entropy alloys as catalysts: A focused review

Mueller, M., Chau, H. K., Stofik, S., Gordon, M. N., Fushimi, R., Lauterbach, J. A., Craps, M., Rodene, D. D., & Aidhy, D. S. (2025) · Materials Letters · doi:10.1016/j.matlet.2025.139114 · Cited by 8

Platinum-free medium-entropy FeCoNiCu selenide/N-CNT electrocatalyst with superior ORR activity and long-term stability in alkaline medium

Wang, Z.-M., Yan, H., Liu, Z., Wang, K., Zhou, M., Tong, Z., Shi, H., Wang, F., Liu, G., Ni, Z., et al. (2025) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2025.151899 · Cited by 8

Deciphering the structure–activity–selectivity relationship of high-entropy alloys for CO 2 reduction via interpretable machine learning

Sun, J., Xu, X., Mao, Y., Chen, A., Wang, S., Shi, L., Ling, C., Wang, J., & Zhang, X. (2025) · Chemical Science · doi:10.1039/d5sc05762k · Cited by 10

Learning in higher dimensions: a strategy for alloy electrocatalyst discovery

Mints, V. A., Pedersen, J. K., Wiberg, G. K. H., Edelvang‐Pejrup, J., Gautam, D., Jensen, K. M. Ø., Rossmeisl, J., & Arenz, M. (2026) · EES Catalysis · doi:10.1039/d5ey00356c · Cited by 8

Unveiling the correlation between high-entropy alloy element systems and electrocatalytic activity

Shan, X., Cai, F., Tu, Y., Zhang, D., Pan, Y., Chen, L., Liang, J., Gao, H., Xu, J., Li, H. C., et al. (2026) · National Science Review · doi:10.1093/nsr/nwag161 · Cited by 8

Interstitial-Hydrogen-Modulated Subnanometer PdPtIrCoNiH High-Entropy Hydride Nanowires for Efficient Hydrogen Electrocatalysis

Zhang, S., Liang, J., Sun, M., Wang, Y., Liu, X., Xie, L., Mao, J., Shi, H., Lin, Z. B., Su, D., et al. (2026) · Journal of the American Chemical Society · doi:10.1021/jacs.5c22868 · Cited by 8

Rational catalyst design for CO oxidation: a gradient-based optimization strategy

Wang, Z., & Hu, P. (2021) · Catalysis Science & Technology · doi:10.1039/d0cy02053b · Cited by 8

Efficient synthesis of IrPtPdNi/GO nanocatalysts for superior performance in water electrolysis

Jang, S., Yun, Y. H., Lee, J. G., Oh, K. H., Kang, S. W., Yang, J., Kim, M., Lee, C., & Park, J. C. (2024) · Nano Research · doi:10.1007/s12274-024-6900-6 · Cited by 9

Modeling electrochemical nitrogen reduction

Höskuldsson, Á. B., Sakai, Y., & Skúlason, E. (2025) · Chem Catalysis · doi:10.1016/j.checat.2024.101239 · Cited by 8

Unlocking the potential of high entropy alloys in Electrocatalytic reactions: A review

Xiang, Q., Qi, D., Feng, J., Du, W., Meng, Y., & Zhu, F. (2025) · Journal of Electroanalytical Chemistry · doi:10.1016/j.jelechem.2025.119083 · Cited by 8

Core–Shell Multicomponent Alloys with High Specific Surface Areas Prepared by Molten Salt Synthesis for Catalytic Hydrogenation of p-Nitrophenol by NaBH4

Kobayashi, Y., Yokoyama, S., & Shoji, R. (2022) · ACS Applied Engineering Materials · doi:10.1021/acsaenm.2c00028 · Cited by 8

Learning What Makes Catalysts Good

Artrith, N. (2020) · Matter · doi:10.1016/j.matt.2020.09.012 · Cited by 8

High Entropy Alloys Database generated with Large Language Model

Chizhevskiy, V., Marković, G., Benrazzouq, S., Cvelbar, U., Nominé, A., & Zavašnik, J. (2026) · Scientific Data · doi:10.1038/s41597-026-06930-z · Cited by 8

Asymmetrical Promotional Effect in the Disorder‐to‐Order Transition of Au‐Pt‐Cu Ternary Alloy Electrocatalysts

Zhao, W., Hu, Z., Li, M., & Hu, S. (2024) · Advanced Functional Materials · doi:10.1002/adfm.202409481 · Cited by 7

Machine learning in electrocatalysis–Living up to the hype?

Höskuldsson, Á. B. (2025) · Current Opinion in Electrochemistry · doi:10.1016/j.coelec.2025.101649 · Cited by 7

In‐Depth Discussion on Electrocatalytic Barrier with Electron Structure of High‐Entropy Alloy Predicted by Transfer Learning and Neural Networks

Li, C., Zhang, R., Ma, P., & Zheng, K. (2025) · Advanced Functional Materials · doi:10.1002/adfm.202423732 · Cited by 8

Synthesis and characterization of individual high-entropy alloy particles for electrocatalytic water oxidation

Rauf, M., Askarova, G., Bo, T., & Mirkin, M. V. (2025) · Nanoscale Horizons · doi:10.1039/d4nh00659c · Cited by 7

Machine learning-accelerated prediction of mechanical and microstructural properties of BCC Fe–Cr–Ni–Al high-entropy alloys across the full compositional space

Xue, J., Huang, J., Lai, Z., Qu, N., Liu, Y., & Zhu, J. (2025) · Intermetallics · doi:10.1016/j.intermet.2025.108827 · Cited by 7

Recent advances in high entropy alloys for electrochemical water splitting: Materials, synthesis, and applications

Kaba, İ., & Koca, A. (2025) · Journal of Industrial and Engineering Chemistry · doi:10.1016/j.jiec.2025.05.032 · Cited by 7

Harnessing Multimetallic Effects via Metal–Phenolic Networks: Feasible On-Surface Assembly and Direct Use as Electrocatalysts

Cheng, J., Chen, T., Xu, H., Zhang, J., Chen, L., & Huang, Z. (2025) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5c00491 · Cited by 7

Surface segregation and mixing propensity in noble metal AgAuCuPdPt nanoalloys upon element enrichment – a computational perspective

Calvo, F. (2025) · Faraday Discussions · doi:10.1039/d5fd00077g · Cited by 7

Exploration of nanostructured high-entropy alloys for key electrochemical reactions: a comparative study for the solid solution systems Cu–Pd–Pt–Ru, Ir–Pd–Pt–Ru and Ni–Pd–Pt–Ru

Bürgel, J. L., Zehl, R., Thelen, F., Zerdoumi, R., Krysiak, O. A., Kohnen, B., Suhr, E., Schuhmann, W. W., & Ludwig, A. (2025) · Faraday Discussions · doi:10.1039/d5fd00082c · Cited by 7

Structural prediction and surface-induced short-range order in HfNbTaZr high-entropy alloy nanoparticles

Queirolo, K., Varas, A., Ramírez, M., Rojas-Nunez, J., Rogan, J. A., & Valencia, F. J. (2025) · The Journal of Chemical Physics · doi:10.1063/5.0261973 · Cited by 7

Study on catalyst‐support interactions in high‐entropy catalysts toward electrochemical water splitting reactions

Oh, D., Ha, S., Surendran, S., Moon, D. J., Jeong, G. H., Kim, J., Lu, X., Choi, H., Kwon, G., Yun, Y., et al. (2025) · Journal of the American Ceramic Society · doi:10.1111/jace.70091 · Cited by 7

Entropy‐Driven Electrolytes for Sodium‐Ion Batteries: From Liquid to Solid‐State Systems

Zhang, G., Li, Y., Hu, H., Hong, Z., Zhu, Y., & Xiao, Y. (2025) · Advanced Functional Materials · doi:10.1002/adfm.202520788 · Cited by 7

Machine learning-assisted computational screening of high-entropy alloy catalysts for HCOOH decomposition

Liu, X., Sun, K., Chen, Y., Ma, X., Yu, C., Su, Z., He, H., Lu, J., & Su, H. (2025) · Journal of Materials Chemistry A · doi:10.1039/d5ta05112f · Cited by 7

Active Learning‐Guided Accelerated Discovery of Ultra‐Efficient High‐Entropy Thermoelectrics

Jang, H., Lee, W., Kim, H., Cha, S., Shin, H., Lee, W. B., Oh, M., Jung, Y. S., & Kim, Y. (2025) · Advanced Materials · doi:10.1002/adma.202515054 · Cited by 7

Mo‐Modified Transition Metal‐Based Ribbons for Electrochemical Water Splitting: Mechanisms, Design Strategies, and Applications

Li, T., Sun, M., Moyo, O., Zhang, Y., Xu, F., Shi, Q., & Sun, H. (2025) · Small · doi:10.1002/smll.202509391 · Cited by 7

High-entropy electrocatalysts for alcohol oxidation reactions: a pathway to efficient and durable energy conversion

Fakude, C. T., Haruna, A. B., & Ozoemena, K. I. (2025) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2025.217249 · Cited by 7

Electrified vapour deposition at ultrahigh temperature and atmospheric pressure for nanomaterials synthesis

Wang, X., Liu, N., Huang, Z., Yang, J., Chen, G., Li, B., Xie, T., Overa, S., Brozena, A. H., Li, T., et al. (2025) · Nature Synthesis · doi:10.1038/s44160-025-00914-4 · Cited by 7

Surface Activation of High‐Entropy Alloy Nanoparticles Using ns‐Pulsed UV Laser Postprocessing for Enhanced Water Splitting and Fuel Cell Performance

Lemm, P., Söder, J., Reichenberger, S., & Barcikowski, S. (2025) · Advanced Energy and Sustainability Research · doi:10.1002/aesr.202500242 · Cited by 7

Energy catalysis through high-entropy materials by experiment, computation, and artificial intelligence

Deng, H., & Yang, L.-M. (2026) · Matter · doi:10.1016/j.matt.2025.102487 · Cited by 8

Screening Multicomponent Alloys Using Evidence Theory and High-Throughput DFT Calculations for C2-Selective eCO2RR

Kuroda, F., Ibe, M., & Otani, M. (2024) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.4c04180 · Cited by 7

Embedding material graphs using the electron-ion potential: application to material fracture

Tawfik, S. A., Nguyen, T., Russo, S. P., Tran, T., Gupta, S., & Venkatesh, S. (2024) · Digital Discovery · doi:10.1039/d4dd00246f · Cited by 7

Carbon-modified multicomponent-doped Cr2O3 oxide: An efficient and ultra stable electrocatalyst for oxygen evolution reaction and water splitting

Jin, Z., Wang, Y., Zhu, L., Zhang, J., & Lin, X. (2025) · Journal of Electroanalytical Chemistry · doi:10.1016/j.jelechem.2025.118937 · Cited by 7

Electronic structure modulation of ultrathin PtRuMoCoNi high-entropy alloy nanowires for boosting peroxidase-like activity and sensitive colorimetric determination of isoniazid and hydrazine

Li, J., Wang, A., Song, P., Feng, J., Zhou, Q., & Cheang, T. (2025) · Microchimica Acta · doi:10.1007/s00604-024-06892-2 · Cited by 7

Composition space of PtIrPdRhRu high entropy alloy nanoparticles synthesized by solvothermal reactions

Bertelsen, A. D., Hansen, A. R., Broge, N. L. N., Mamakhel, A. H., Bondesgaard, M., & Iversen, B. B. (2022) · Chemical Communications · doi:10.1039/d2cc04827b · Cited by 7

Recent Advance of Machine Learning in Selecting New Materials

Qi, X., Hu, Y., Wang, R., Yang, Y., & Zhao, Y. (2023) · 化学学报 · doi:10.6023/a22110446 · Cited by 7

A computational approach for mapping electrochemical activity of multi-principal element alloys

Yuwono, J. A., Li, X., Doležal, T. D., Samin, A. J., Shi, Q., Li, Z., & Birbilis, N. (2023) · npj Materials Degradation · doi:10.1038/s41529-023-00409-7 · Cited by 7

Performance comparison of FeNiCo, FeNiCu and FeNiCoCu alloy particles as catalyst material for polymer electrolyte membrane fuel cells

Ates, S., Tarı, D., Safaltın, Ş., Küçükelyas, B., Özçelik, D. Y., & Gürmen, S. (2021) · Reaction Kinetics Mechanisms and Catalysis · doi:10.1007/s11144-021-02087-5 · Cited by 7

High-entropy Phosphide Bifunctional Catalyst: Preparation and Performance of Efficient Water Splitting

Zhang, W., Ruihua, G. U. O., Quanxin, Y. U. E., Huang, Y., Zhang, G., & Lili, G. U. A. N. (2024) · Journal of Inorganic Materials · doi:10.15541/jim20240074 · Cited by 6

Modelling adsorbate coverage on complex alloy surfaces

Nielsen, M. L. S., Pedersen, J. K., Nygaard, M. F., Plenge, M. K., Kristoffersen, H. H., & Rossmeisl, J. (2025) · Faraday Discussions · doi:10.1039/d5fd00089k · Cited by 6

Computational insights into hydrogen adsorption energies on medium-entropy oxides

Song, H., Glezakou, V., Wu, Z., & Jiang, D. (2025) · Catalysis Science & Technology · doi:10.1039/d5cy00583c · Cited by 6

Element-Specific Local Chemical Order of High-Entropy Nanoalloys

Morris, D. J., Li, B., Yao, Y., Huang, Z., Shahbazian‐Yassar, R., Wang, G., Hu, L., & Zhang, P. (2025) · ACS Nano · doi:10.1021/acsnano.5c06666 · Cited by 6

Prediction of vacancy defect diffusion paths in high entropy alloys via machine learning on molecular dynamics data

Reimer, C., Saidi, P., Casert, C., Beeler, C., Feugmo, C. G. T., Whitelam, S., Mansouri, E., Martinez, A., Béland, L. K., & Tamblyn, I. (2025) · Journal of Applied Physics · doi:10.1063/5.0280842 · Cited by 7

Effect of ball-milling on phase transformation and bifunctional electrocatalytic performance of noble metal free Co35Cr5Fe10Ni30Ti20 high entropy alloys

Kumari, P., Kumari, N., Priya, A., Singh, A., Mohapatra, S. K., & Shahi, R. R. (2025) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2025.151540 · Cited by 6

Total Galvanic Replacement Strategy for Synthesizing Hollow Multimetallic Nanocrystals Toward Enhanced Catalysis

Lin, X., Lin, J., Tseng, C., Lin, S., He, Z., Chen, Y., Lin, C., Lee, K. Y., Yang, C., Wang, C., et al. (2025) · Advanced Functional Materials · doi:10.1002/adfm.202519243 · Cited by 6

Dual‐Function High‐Entropy Alloy Nanocatalysts Enable Long‐Life Aqueous Zinc–Iodine Batteries

Yin, T., Chen, M., Yan, Z., Wang, F., Luo, Z., Umer, S., Chen, Z., Yue, N., Lv, W. Z., & Yang, C. (2025) · Advanced Sustainable Systems · doi:10.1002/adsu.202501175 · Cited by 6

Water-Based Synthesis of Supported Ultrasmall High-Entropy Alloy Nanoparticles

Nielsen, T. M., Schlegel, N., Arjona, A. S., Klemmt, R., Rohde, R., Vosch, T., Bøjesen, E. D., & Jensen, K. M. Ø. (2025) · Nano Letters · doi:10.1021/acs.nanolett.5c03515 · Cited by 6

Noble Metal‐Based High Entropy Alloy Nanoparticles Prepared by Pulsed Electrodeposition: An Approach for Medium Throughput Studies

Gautam, D., Wiberg, G. K. H., Quinson, J., Wang, D., Clausen, C. M., Rohde, R., Klemmt, R., Rossmeisl, J., Bøjesen, E. D., & Arenz, M. (2025) · Small Structures · doi:10.1002/sstr.202500666 · Cited by 6

Finite-temperature composition–activity maps reveal Cu-rich windows for CO2-to-CO reduction on Ag–Au–Cu–Pd–Pt high-entropy alloys

Yi, N., Xiao, Q., Song, J., Wang, S., Wang, Y., & Cao, L. (2026) · Journal of Catalysis · doi:10.1016/j.jcat.2026.116686 · Cited by 6

Unlocking Li‐CO 2 Battery Catalytic Potential via High‐Entropy Alloy‐Driven Synergistic Coupling for Amorphous Pathway Stabilization

Wang, Y., Zhang, X., Yq, Y., Lei, C., Wang, J., Schuck, G., Liu, W., Feng, G. H., Liu, K., Ren, B., et al. (2026) · Advanced Functional Materials · doi:10.1002/adfm.202529328 · Cited by 6

A First-Principles Study and Microkinetic Simulation of Ammonia Decomposition on CoIrNiRhRu High-Entropy Alloy Surfaces

Fang, F., Guo, H. M., Zhu, H., & Chen, Z.-X. (2026) · ACS Catalysis · doi:10.1021/acscatal.5c05991 · Cited by 6

CuCoCrRuMo HEA achieving Cl− repulsion and Mg resource recovery in industrial-current-density seawater electrolysis

He, H., Chen, Z., Ma, W., Chen, Q., Li, Q. X., Lv, X., & Dang, J. (2026) · Acta Materialia · doi:10.1016/j.actamat.2026.121971 · Cited by 6

Theoretical Understanding of Activity, Selectivity, and Stability in Oxygen Electrocatalysis

Navodye, S. A. K., & Gunasooriya, G. T. K. K. (2026) · Industrial & Engineering Chemistry Research · doi:10.1021/acs.iecr.5c04318 · Cited by 6

Bifunctional Electrocatalysts with High-Entropy Alloys: Bridging Hydrogen Evolution and Oxygen Reduction

Li, J., Wu, J., Allangawi, A., Li, Y., Li, H., Guo, Y., Zhang, H., & Li, W.-L. (2026) · Chemistry of Materials · doi:10.1021/acs.chemmater.6c00035 · Cited by 7

Computational Screening of Pt-Skin Oxygen Reduction Reaction Electrocatalyst Supported by Random Solid-Solution PtPdRhIrRu Alloy

Aliman, J. M., Ebaya, J. L. P., Bongabong, K. J., Domato, D. C., Chan, G. L., & Ambolode, L. C., II (2026) · Journal of Physics Conference Series · doi:10.1088/1742-6596/3268/1/012025

Unraveling Reactivity Origin of Oxygen Reduction at High-Entropy Alloy Electrocatalysts with a Computational and Data-Driven Approach

Huang, Y., Wang, S., Wang, X., Omidvar, N., Achenie, L. E. K., Skrabalak, S. E., & Xin, H. (2024) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.4c01630 · Cited by 29

Inverse design and discovery of high entropy alloy catalysts for efficient oxygen evolution reaction

Thoudam, J., & Jain, A. (2026) · The Journal of Chemical Physics · doi:10.1063/5.0328756

Machine-learning-assisted discovery of highly efficient high-entropy alloy catalysts for the oxygen reduction reaction

Wan, X., Zhang, Z., Yu, W., Niu, H., Wang, X., & Guo, Y. (2022) · Patterns · doi:10.1016/j.patter.2022.100553 · Cited by 93

Following Paths of Maximum Catalytic Activity in the Composition Space of High‐Entropy Alloys

Plenge, M. K., Pedersen, J. K., Mints, V. A., Arenz, M., & Rossmeisl, J. (2022) · Advanced Energy Materials · doi:10.1002/aenm.202202962 · Cited by 44