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

Machine learning in solid heterogeneous catalysis: Recent developments, challenges and perspectives

Guan, Y., Chaffart, D., Liu, G., Tan, Z., Zhang, D., Wang, Y., Li, J., & Ricardez‐Sandoval, L. (2021) · Chemical Engineering Science · doi:10.1016/j.ces.2021.117224 · Cited by 161

Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization

Xu, W., Diesen, E., He, T., Reuter, K., & Margraf, J. T. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.3c14486 · Cited by 151

Surface‐Decorated High‐Entropy Alloy Catalysts with Significantly Boosted Activity and Stability

Zeng, K., Zhang, J., Gao, W., Wu, L., Liu, H., Gao, J., Li, Z., Zhou, J., Li, T., Liang, Z., et al. (2022) · Advanced Functional Materials · doi:10.1002/adfm.202204643 · Cited by 151

Cost‐Effective High Entropy Core–Shell Fiber for Stable Oxygen Evolution Reaction at 2 A cm−2

Cui, Y., Jiang, S., Fu, Q., Wang, R., Xu, P., Sui, Y., Wang, X., Ning, Z., Sun, J., Sun, X., et al. (2023) · Advanced Functional Materials · doi:10.1002/adfm.202306889 · Cited by 146

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., & He, C. (2024) · Angewandte Chemie International Edition · doi:10.1002/anie.202423765 · Cited by 145

Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis

Ghanekar, P. G., Deshpande, S., & Greeley, J. (2022) · Nature Communications · doi:10.1038/s41467-022-33256-2 · Cited by 144

Understanding Alkaline Hydrogen Oxidation Reaction on PdNiRuIrRh High‐Entropy‐Alloy by Machine Learning Potential

Men, Y., Wu, D., Hu, Y., Li, L., Li, P., Jia, S., Wang, J., Cheng, G., Chen, S., & Luo, W. (2023) · Angewandte Chemie International Edition · doi:10.1002/anie.202217976 · Cited by 149

Controllable synthesis of high-entropy alloys

Liang, J., Cao, G., Zeng, M., & Fu, L. (2024) · Chemical Society Reviews · doi:10.1039/d4cs00034j · Cited by 150

Defective high-entropy rocksalt oxide with enhanced metal‒oxygen covalency for electrocatalytic oxygen evolution

Liu, F., Yu, M., Chen, X., Li, J., Liu, H., & Cheng, F. (2021) · CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) · doi:10.1016/s1872-2067(21)63794-4 · Cited by 143

Twelve-Component Free-Standing Nanoporous High-Entropy Alloys for Multifunctional Electrocatalysis

Yu, T., Zhang, Y., Hu, Y., Hu, K., Lin, X., Xie, G., Liu, X., Reddy, K. M., Ito, Y., & Qiu, H. (2021) · ACS Materials Letters · doi:10.1021/acsmaterialslett.1c00762 · Cited by 144

Integrating few-atom layer metal on high-entropy alloys to catalyze nitrate reduction in tandem

Hao, J., Wang, T., Yu, R., Cai, J. R., Gao, G., Zhuang, Z. C., Kang, Q., Lu, S., Liu, Z., Wu, J., et al. (2024) · Nature Communications · doi:10.1038/s41467-024-53427-7 · Cited by 142

High‐Entropy Alloys to Activate the Sulfur Cathode for Lithium–Sulfur Batteries

Wang, Z., Ge, H.-L., Liu, S. H., Li, G., & Gao, X. (2022) · Energy & environment materials · doi:10.1002/eem2.12358 · Cited by 141

Convex Cube‐Shaped Pt34Fe5Ni20Cu31Mo9Ru High Entropy Alloy Catalysts toward High‐Performance Multifunctional Electrocatalysis

Chen, Z.-Q., Wen, J., Wang, C., & Kang, X. (2022) · Small · doi:10.1002/smll.202204255 · Cited by 141

Ultrathin defective high-entropy layered double hydroxides for electrochemical water oxidation

Gu, K., Zhu, X., Wang, D., Zhang, N., Huang, G., Li, W., Peng, L., Tian, J., Zou, Y., Wang, Y., et al. (2021) · Journal of Energy Chemistry · doi:10.1016/j.jechem.2020.12.029 · Cited by 138

Recent experimental and theoretical advances in the design and science of high-entropy alloy nanoparticles

Zoubi, W. A., Putri, R. A. K., Abukhadra, M. R., & Ko, Y. G. (2023) · Nano Energy · doi:10.1016/j.nanoen.2023.108362 · Cited by 139

Recent progress and perspective of cobalt-based catalysts for water splitting: design and nanoarchitectonics

Huang, C., Qin, P. L., Luo, Y., Ruan, Q., Liu, L., Wu, Y., Li, Q., Xu, Y., Liu, R., & Chu, P. K.-H. (2021) · Materials Today Energy · doi:10.1016/j.mtener.2021.100911 · Cited by 135

2D Metal–Organic Frameworks as Competent Electrocatalysts for Water Splitting

Wang, C., Lin, Y., Cui, L., Zhu, J. G., & Bu, X. (2023) · Small · doi:10.1002/smll.202207342 · Cited by 136

Intrinsic activity modulation and structural design of NiFe alloy catalysts for an efficient oxygen evolution reaction

Kang, Q., Lai, D., Tang, W., Lu, Q., & Gao, F. (2021) · Chemical Science · doi:10.1039/d0sc06716d · Cited by 135

High‐entropy alloys and compounds for electrocatalytic energy conversion applications

Liu, H., Lenus, S., Zhang, L., Lee, C., Liu, C., Dai, Z., & Yan, Q. (2021) · SusMat · doi:10.1002/sus2.32 · Cited by 137

Improving the intrinsic activity of electrocatalysts for sustainable energy conversion: where are we and where can we go?

Govindarajan, N., Kastlunger, G., Heenen, H. H., & Chan, K. (2021) · Chemical Science · doi:10.1039/d1sc04775b · Cited by 136

A review of noble metal-free high entropy alloys for water splitting applications

Kamaruddin, H., Jiang-hong, Z., Liang, Y., Wei, Y., & Huang, Y. (2024) · Journal of Materials Chemistry A · doi:10.1039/d4ta00690a · Cited by 140

Design of Complex Solid‐Solution Electrocatalysts by Correlating Configuration, Adsorption Energy Distribution Patterns, and Activity Curves

Löffler, T., Savan, A., Meyer, H., Meischein, M., Strotkötter, V., Ludwig, A., & Schuhmann, W. W. (2019) · Angewandte Chemie International Edition · doi:10.1002/anie.201914666 · Cited by 132

Autocatalytic Formation of High‐Entropy Alloy Nanoparticles

Broge, N. L. N., Bondesgaard, M., Søndergaard‐Pedersen, F., Roelsgaard, M., & Iversen, B. B. (2020) · Angewandte Chemie International Edition · doi:10.1002/anie.202009002 · Cited by 132

Optimization of High-Entropy Alloy Catalyst for Ammonia Decomposition and Ammonia Synthesis

Saidi, W. A., Shadid, W., & Veser, G. (2021) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.1c01242 · Cited by 132

High-entropy-alloy nanoparticles with 21 ultra-mixed elements for efficient photothermal conversion

Liao, Y., Li, Y., Zhao, R., Zhang, J., Zhao, L., Ji, L., Zhang, Z., Liu, X., Qin, G. W., & Zhang, X. (2022) · National Science Review · doi:10.1093/nsr/nwac041 · Cited by 131

Electronic descriptors for designing high-entropy alloy electrocatalysts by leveraging local chemical environments

Cao, G., Yang, S., Ren, J., & Liu, W. (2025) · Nature Communications · doi:10.1038/s41467-025-56421-9 · Cited by 133

Toward Excellence of Electrocatalyst Design by Emerging Descriptor‐Oriented Machine Learning

Liu, J., Luo, W., Wang, L., Zhang, J., Fu, X., & Luo, J. (2022) · Advanced Functional Materials · doi:10.1002/adfm.202110748 · Cited by 131

Transition Metal High‐Entropy Nanozyme: Multi‐Site Orbital Coupling Modulated High‐Efficiency Peroxidase Mimics

Feng, J., Yang, X., Du, T., Zhang, L., Zhang, P., Zhuo, J., Luo, L., Sun, H., Han, Y., Liu, L., et al. (2023) · Advanced Science · doi:10.1002/advs.202303078 · Cited by 129

Sub‐2 nm Microstrained High‐Entropy‐Alloy Nanoparticles Boost Hydrogen Electrocatalysis

Luo, H., Li, L., Lin, F., Zhang, Q., Wang, K., Wang, D., Gu, L., Luo, M., Lv, F., & Guo, S. (2024) · Advanced Materials · doi:10.1002/adma.202403674 · Cited by 132

Synthetic methods for high-entropy nanomaterials

Kar, N., & Skrabalak, S. E. (2025) · Nature Reviews Materials · doi:10.1038/s41578-025-00829-8 · Cited by 147

High-entropy alloy nanoparticles on aligned electronspun carbon nanofibers for supercapacitors

Xu, X., Xu, L. H., Wang, C., Guo, Y., Zou, J., Zhou, K., Zeng, Z., Liu, Y., & Li, L. (2020) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2020.153642 · Cited by 129

Low-Temperature Synthesis of a Porous High-Entropy Transition-Metal Oxide as an Anode for High-Performance Lithium-Ion Batteries

Yang, X., Wang, H., Song, Y., Liu, K., Huang, T., Wang, X., Zhang, C., & Li, J. (2022) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.2c07576 · Cited by 128

Nano High‐Entropy Materials: Synthesis Strategies and Catalytic Applications

Li, H., Zhu, H., Zhang, S., Zhang, N., Du, M., & Chai, Y. (2020) · Small Structures · doi:10.1002/sstr.202000033 · Cited by 130

Structural Framework-Guided Universal Design of High-Entropy Compounds for Efficient Energy Catalysis

Wu, H., Lu, Q., Li, Y., Zhao, M., Wang, J., Li, Y., Zhang, J., Zheng, X., Han, X., Zhao, N., et al. (2022) · Journal of the American Chemical Society · doi:10.1021/jacs.2c12295 · Cited by 126

Pd‐Enriched‐Core/Pt‐Enriched‐Shell High‐Entropy Alloy with Face‐Centred Cubic Structure for C 1 and C 2 Alcohol Oxidation

Lao, X., Liao, X., Chen, C., Wang, J., Yang, L., Li, Z., Ma, J., Fu, A., Gao, H., & Guo, P. (2023) · Angewandte Chemie International Edition · doi:10.1002/anie.202304510 · Cited by 128

Synthesis of monodisperse high entropy alloy nanocatalysts from core@shell nanoparticles

Chen, Y., Zhan, X., Bueno, S. L. A., Shafei, I. H., Ashberry, H. M., Chatterjee, K., Xu, L., Tang, Y., & Skrabalak, S. E. (2021) · Nanoscale Horizons · doi:10.1039/d0nh00656d · Cited by 125

Advancing MXene Electrocatalysts for Energy Conversion Reactions: Surface, Stoichiometry, and Stability

Tsounis, C., Kumar, P. V., Masood, H., Kulkarni, R. P., Gautam, G. S., Müller, C. R., Amal, R., & Kuznetsov, D. A. (2022) · Angewandte Chemie International Edition · doi:10.1002/anie.202210828 · Cited by 125

Intermetallic compounds in catalysis – a versatile class of materials meets interesting challenges

Armbrüster, M. (2020) · Science and Technology of Advanced Materials · doi:10.1080/14686996.2020.1758544 · Cited by 127

Nanostructured amorphous Fe29Co27Ni23Si9B12 high-entropy-alloy: an efficient electrocatalyst for oxygen evolution reaction

Wang, H., Wei, R., Li, X., Ma, X., Hao, X., & Guan, G. (2020) · Journal of Material Science and Technology · doi:10.1016/j.jmst.2020.06.045 · Cited by 124

Unlocking the Potential of High Entropy Alloys in Electrochemical Water Splitting: A Review

Ahmad, A., Nairan, A., Feng, Z., Zheng, R., Bai, Y., Khan, U., & Gao, J. (2024) · Small · doi:10.1002/smll.202311929 · Cited by 128

Applications of Machine Learning in Alloy Catalysts: Rational Selection and Future Development of Descriptors

Yang, Z. K., & Gao, W. (2022) · Advanced Science · doi:10.1002/advs.202106043 · Cited by 125

Nanoscale high-entropy alloy for electrocatalysis

Han, X., Wu, G., Zhao, S., Guo, J., Yan, M., Hong, X., & Wang, D. S. (2023) · Matter · doi:10.1016/j.matt.2023.03.034 · Cited by 124

Low-temperature non-equilibrium synthesis of anisotropic multimetallic nanosurface alloys for electrochemical CO2 reduction

Koolen, C. D., Oveisi, E., Zhang, J., Li, M., Safonova, О. V., Pedersen, J. K., Rossmeisl, J., Luo, W., & Züttel, A. (2023) · Nature Synthesis · doi:10.1038/s44160-023-00387-3 · Cited by 127

Theoretical Optimization of Compositions of High‐Entropy Oxides for the Oxygen Evolution Reaction**

Svane, K. L., & Rossmeisl, J. (2022) · Angewandte Chemie International Edition · doi:10.1002/anie.202201146 · Cited by 120

Deep dive into machine learning density functional theory for materials science and chemistry

Fiedler, L., Shah, K., Bußmann, M., & Cangi, A. (2022) · Physical Review Materials · doi:10.1103/physrevmaterials.6.040301 · Cited by 127

Atomic scale synergistic interactions lead to breakthrough catalysts for electrocatalytic water splitting

Huang, C., Lin, Y., Chiang, C., Peng, C., Raja, D. S., Hsieh, C., Chen, Y., Chang, S.-Q., Yeh, Y., & Lu, S. (2022) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2022.122016 · Cited by 117

Sustainable photocatalytic hydrogen peroxide production over octonary high-entropy oxide

Ling, H., Sun, H., Lu, L., Zhang, J., Liao, L., Wang, J., Zhang, X., Lan, Y., Li, R., Lu, W., et al. (2024) · Nature Communications · doi:10.1038/s41467-024-53896-w · Cited by 117

Antisite defect unleashes catalytic potential in high-entropy intermetallics for oxygen reduction reaction

Chen, T., Zhang, X., Wang, H., Yuan, C., Zuo, Y., Gao, C. C., Xiao, W., Yu, Y., Cai, J., Luo, T., et al. (2025) · Nature Communications · doi:10.1038/s41467-025-58679-5 · Cited by 116

Elemental Core Level Shift in High Entropy Alloy NanoparticlesviaX-ray Photoelectron Spectroscopy Analysis and First-Principles Calculation

Xu, X., Guo, Y., Bloom, B. P., Wei, J., Li, H., Li, H., Xu, L. H., Zeng, Z., Li, L., & Waldeck, D. H. (2020) · ACS Nano · doi:10.1021/acsnano.0c09470 · Cited by 115

Developing machine learning for heterogeneous catalysis with experimental and computational data

Bozal‐Ginesta, C., Pablo‐García, S., Choi, C., Tarancón, A., & Aspuru‐Guzik, A. (2025) · Nature Reviews Chemistry · doi:10.1038/s41570-025-00740-4 · Cited by 116

Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals

García‐Muelas, R., & López, N. (2019) · Nature Communications · doi:10.1038/s41467-019-12709-1 · Cited by 115

Machine Learning in Screening High Performance Electrocatalysts for CO2 Reduction

Zhang, N., Yang, B., Liu, K., Li, H., Chen, G., Qiu, X., Li, W., Hu, J., Fu, J., Jiang, Y., et al. (2021) · Small Methods · doi:10.1002/smtd.202100987 · Cited by 114

Unravelling Composition–Activity–Stability Trends in High Entropy Alloy Electrocatalysts by Using a Data‐Guided Combinatorial Synthesis Strategy and Computational Modeling

Banko, L., Krysiak, O. A., Pedersen, J. K., Xiao, B., Savan, A., Löffler, T., Baha, S., Rossmeisl, J., Schuhmann, W. W., & Ludwig, A. (2022) · Advanced Energy Materials · doi:10.1002/aenm.202103312 · Cited by 113

Eight‐Component Nanoporous High‐Entropy Oxides with Low Ru Contents as High‐Performance Bifunctional Catalysts in Zn‐Air Batteries

Jin, Z., Lyu, J., Hu, K., Chen, Z., Xie, G., Liu, X., Lin, X., & Qiu, H. (2022) · Small · doi:10.1002/smll.202107207 · Cited by 113

Phosphorus‐Modified Amorphous High‐Entropy CoFeNiCrMn Compound as High‐Performance Electrocatalyst for Hydrazine‐Assisted Water Electrolysis

Li, K., He, J., Guan, X., Tong, Y., Ye, Y., Chen, L., & Chen, P. (2023) · Small · doi:10.1002/smll.202302130 · Cited by 113

Active site switching on high entropy phosphides as bifunctional oxygen electrocatalysts for rechargeable/robust Zn–air battery

He, R., Wang, S., Yang, L., Horta, S., Ding, Y., Di, C., Zhang, X., Xu, Y. C., Ibáñez, M., Zhou, Y., et al. (2024) · Energy & Environmental Science · doi:10.1039/d4ee01912a · Cited by 113

Machine Learning Assisted Exploration of High Entropy Alloy-Based Catalysts for Selective CO 2 Reduction to Methanol

Roy, D., Mandal, S. C., & Pathak, B. (2022) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.2c00929 · Cited by 112

Future prospects of high-entropy alloys as next-generation industrial electrode materials

Bolar, S., Ito, Y., & Fujita, T. (2024) · Chemical Science · doi:10.1039/d3sc06784j · Cited by 117

Targeted design of advanced electrocatalysts by machine learning

Chen, L., Zhang, X., Chen, A., Yao, S., Hu, X., & Zhou, Z. P. (2021) · CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) · doi:10.1016/s1872-2067(21)63852-4 · Cited by 110

Rapid High-Temperature Liquid Shock Synthesis of High-Entropy Alloys for Hydrogen Evolution Reaction

Cui, X., Liu, Y., Wang, X., Tian, X., Wang, Y., Zhang, G., Liu, T., Ding, J., Hu, W., & Chen, Y. (2024) · ACS Nano · doi:10.1021/acsnano.3c07703 · Cited by 114

Advancing electrocatalytic reactions through mapping key intermediates to active sites via descriptors

Sun, X., Araujo, R. B., dos Santos, E. C., Sang, Y., Liu, H., & Yu, X. (2024) · Chemical Society Reviews · doi:10.1039/d3cs01130e · Cited by 111

Alloy electrocatalysts

Du, M., Li, X., Pang, H., & Xü, Q. (2022) · EnergyChem · doi:10.1016/j.enchem.2022.100083 · Cited by 111

Adsorption Enthalpies for Catalysis Modeling through Machine-Learned Descriptors

Andersen, M., & Reuter, K. (2021) · Accounts of Chemical Research · doi:10.1021/acs.accounts.1c00153 · Cited by 106

High‐Entropy Energy Materials in the Age of Big Data: A Critical Guide to Next‐Generation Synthesis and Applications

Wang, Q., Velasco, L., Breitung, B., & Presser, V. (2021) · Advanced Energy Materials · doi:10.1002/aenm.202102355 · Cited by 107

Review of High Entropy Alloys Electrocatalysts for Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reaction

Huo, X., Yu, H., Xing, B., Zuo, X., & Zhang, N. (2022) · The Chemical Record · doi:10.1002/tcr.202200175 · Cited by 108

Octahedral Nanocrystals of Ru‐Doped PtFeNiCuW/CNTs High‐Entropy Alloy: High Performance Toward pH‐Universal Hydrogen Evolution Reaction

Wang, C., Zhang, J., Miao, K., Long, M., Lai, S., Zhao, S., & Kang, X. (2024) · Advanced Materials · doi:10.1002/adma.202400433 · Cited by 105

Surface electrocatalysis on high-entropy alloys

Pedersen, J. K., Batchelor, T. A. A., Yan, D., Skjegstad, L. E. J., & Rossmeisl, J. (2020) · Current Opinion in Electrochemistry · doi:10.1016/j.coelec.2020.100651 · Cited by 104

Engineering the oxygen vacancies of rocksalt-type high-entropy oxides for enhanced electrocatalysis

Gu, Y., Bao, A., Wang, X., Chen, Y., Dong, L., Liu, X., Pan, H., Li, Y., & Qi, X. (2021) · Nanoscale · doi:10.1039/d1nr07000b · Cited by 106

Quinary, Senary, and Septenary High Entropy Alloy Nanoparticle Catalysts from Core@Shell Nanoparticles and the Significance of Intraparticle Heterogeneity

Bueno, S. L. A., Leonardi, A., Kar, N., Chatterjee, K., Zhan, X., Chen, C., Wang, Z., Engel, M., Fung, V., & Skrabalak, S. E. (2022) · ACS Nano · doi:10.1021/acsnano.2c07787 · Cited by 101

Design of Hierarchical Porosity Via Manipulating Chemical and Microstructural Complexities in High‐Entropy Alloys for Efficient Water Electrolysis

Li, R., Liu, X., Liu, W., Li, Z., Chan, K. C., & Lu, Z. (2022) · Advanced Science · doi:10.1002/advs.202105808 · Cited by 100

High-entropy alloys in catalyses and supercapacitors: Progress, prospects

Wang, Y., & Wang, Y. (2022) · Nano Energy · doi:10.1016/j.nanoen.2022.107958 · Cited by 104

Functional two-dimensional high-entropy materials

Nemani, S. K., Torkamanzadeh, M., Wyatt, B. C., Presser, V., & Anasori, B. (2023) · Communications Materials · doi:10.1038/s43246-023-00341-y · Cited by 100

Stretchable high-entropy alloy nanoflowers enable enhanced alkaline hydrogen evolution catalysis

Wei, M., Sun, Y., Ai, F., Xi, S., Zhang, J., & Wang, J. (2023) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2023.122814 · Cited by 100

Machine Learning Big Data Set Analysis Reveals C–C Electro-Coupling Mechanism

Li, H., Li, X., Wang, P., Zhang, Z., Davey, K. R., Shi, Q., & Qiao, S. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.4c09079 · Cited by 100

Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening

Gu, G. H., Noh, J., Kim, S., Back, S., Ulissi, Z. W., & Jung, Y. (2020) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.0c00634 · Cited by 101

Electronic structure factors and the importance of adsorbate effects in chemisorption on surface alloys

Saini, S., Stenlid, J. H., & Abild‐Pedersen, F. (2022) · npj Computational Materials · doi:10.1038/s41524-022-00846-z · Cited by 105

Etched High-Entropy Prussian Blue Analogues as Trifunctional Catalysts for Water, Ethanol, and Urea Electrooxidation

Xu, H. J., Yang, L., Wang, K., Jin, L., Liu, Y., He, G., & Chen, H. (2023) · Inorganic Chemistry · doi:10.1021/acs.inorgchem.3c01701 · Cited by 98

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

Luan, C., Escalera‐López, D., Hagemann, U., Kostka, A., Laplanche, G., Wu, D., Cherevko, S., & Li, T. (2024) · ACS Catalysis · doi:10.1021/acscatal.4c02792 · Cited by 98

Comparing the Activity of Complex Solid Solution Electrocatalysts Using Inflection Points of Voltammetric Activity Curves as Activity Descriptors

Löffler, T., Waag, F., Gökce, B., Ludwig, A., Barcikowski, S., & Schuhmann, W. W. (2021) · ACS Catalysis · doi:10.1021/acscatal.0c03313 · Cited by 89

High-Entropy Alloy Electrocatalysts Bidirectionally Promote Lithium Polysulfide Conversions for Long-Cycle-Life Lithium–Sulfur Batteries

Han, F., Wang, Z., Jin, Q., Fan, L., Tao, K., Li, L., Shi, L., Lu, H., Zhang, Z., Li, J., et al. (2024) · ACS Nano · doi:10.1021/acsnano.4c03031 · Cited by 97

Defect-rich FeCoNiMnRu high-entropy alloys with activated interfacial water for boosting alkaline water/seawater hydrogen evolution

Liu, G., Song, C., Li, X., Jia, Q., Wu, P., Lou, Z., Ma, Y., Cui, X., Zhou, X., & Jiang, L. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.161070 · Cited by 97

Programmable Synthesis of High-Entropy Nanoalloys for Efficient Ethanol Oxidation Reaction

Li, M., Huang, C., Yang, H., Wang, Y., Song, X., Cheng, T., Jiang, J., Lu, Y., Liu, M., Yuan, Q., et al. (2023) · ACS Nano · doi:10.1021/acsnano.3c02762 · Cited by 96

High‐Entropy Nanomaterials for Advanced Electrocatalysis

Lee, S. A., Bu, J., Lee, J., & Jang, H. W. (2023) · Small Science · doi:10.1002/smsc.202200109 · Cited by 95

Toward expanding the realm of high entropy materials to platinum group metals: A review

Moghaddam, A. O., & Trofimov, E. A. (2020) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2020.156838 · Cited by 95

Synthesis of metallic high-entropy alloy nanoparticles

Sun, X., & Sun, Y. (2024) · Chemical Society Reviews · doi:10.1039/d3cs00954h · Cited by 101

Synthesis Strategies for High Entropy Nanoparticles

Yang, L., He, R., Chai, J., Qi, X., Xue, Q., Bi, X., Yu, J., Sun, Z., Xia, L., Wang, K., et al. (2024) · Advanced Materials · doi:10.1002/adma.202412337 · Cited by 97

Laser-generated high entropy metallic glass nanoparticles as bifunctional electrocatalysts

Johny, J., Li, Y., Kamp, M., Prymak, O., Liang, S., Krekeler, T., Ritter, M., Kienle, L., Rehbock, C., Barcikowski, S., et al. (2021) · Nano Research · doi:10.1007/s12274-021-3804-2 · Cited by 102

Facile and General Method to Synthesize Pt-Based High-Entropy-Alloy Nanoparticles

Zhao, P., Cao, Q., Yi, W., Hao, X., Li, J., Zhang, B., Huang, L., Huang, Y., Jiang, Y., Xu, B., et al. (2022) · ACS Nano · doi:10.1021/acsnano.2c03818 · Cited by 93

Spinodal Decomposition and the Pseudo-Binary Decomposition in High-Entropy Alloys

Luan, H., Huang, L., Kang, J., Luo, B., Yang, X., Li, J., Han, Z., Si, J., Shao, Y., Lü, J., et al. (2022) · Acta Materialia · doi:10.1016/j.actamat.2023.118775 · Cited by 93

Synthesis of high-entropy materials

Sun, Y., & Dai, S. (2024) · Nature Synthesis · doi:10.1038/s44160-024-00690-7 · Cited by 111

Preparation, electrical and electrochemical characterizations of CuCoNiFeMn high-entropy-alloy for overall water splitting at neutral-pH

Sivanantham, A., Lee, H., Hwang, S. W., Ahn, B., & Cho, I. S. (2021) · Journal of Materials Chemistry A · doi:10.1039/d1ta02621f · Cited by 93

Entropy Enhanced Perovskite Oxide Ceramic for Efficient Electrochemical Reduction of Oxygen to Hydrogen Peroxide

Chen, Z., Wu, J., Chen, Z., Yang, H., Zou, K., Zhao, X., Liang, R., Dong, X., Menezes, P. W., & Kang, Z. (2022) · Angewandte Chemie International Edition · doi:10.1002/anie.202200086 · Cited by 92

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

Tailoring Local Chemical Ordering via Elemental Tuning in High-Entropy Alloys

Huang, Z., Li, T., Li, B., Dong, Q., Smith, J., Li, S., Xu, L., Wang, G., Chi, M., & Hu, L. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.3c12048 · Cited by 95

Surface segregation in Cr-Mn-Fe-Co-Ni high entropy alloys

Ferrari, A., & Körmann, F. (2020) · Applied Surface Science · doi:10.1016/j.apsusc.2020.147471 · Cited by 91

Tailoring Nanocrystalline/Amorphous Interfaces to Enhance Oxygen Evolution Reaction Performance for FeNi‐Based Alloy Fibers

Li, B., Jiang, S., Fu, Q., Wang, R., Xu, W., Chen, J., Liu, C., Xu, P., Wang, X., Li, J., et al. (2024) · Advanced Functional Materials · doi:10.1002/adfm.202413088 · Cited by 91

High-Entropy Electrode Materials: Synthesis, Properties and Outlook

Li, D., Liu, C., Tao, S., Cai, J., Zhong, B., Li, J., Deng, W., Hou, H., Zou, G., & Ji, X. (2024) · Nano-Micro Letters · doi:10.1007/s40820-024-01504-3 · Cited by 93

Harnessing machine learning for high-entropy alloy catalysis: a focus on adsorption energy prediction

Wang, Q. S., & Yao, Y. (2025) · npj Computational Materials · doi:10.1038/s41524-025-01579-5 · Cited by 95

Suppression of Structural Heterogeneity in High‐Entropy Intermetallics for Electrocatalytic Upgrading of Waste Plastics

Hao, J., Wang, T., Cai, J. R., Gao, G., Zhuang, Z., Yu, R., Wu, J., Wu, G., Lu, S., Wang, X., et al. (2024) · Angewandte Chemie International Edition · doi:10.1002/anie.202419369 · Cited by 90

Noble metal‐based high‐entropy alloys as advanced electrocatalysts for energy conversion

Qin, Y., Wang, F., Wang, X., Wang, M., Zhang, W., An, W., Wang, X., Ren, Y., Zheng, X. L., Lv, D., et al. (2021) · Rare Metals · doi:10.1007/s12598-021-01727-y · Cited by 89

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