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

Effect of Post-Sintering Heat Treatment on the Microstructure, Wear, and Corrosion Behavior of AlCrCoFeNiMn High-Entropy Alloy Fabricated by Spark Plasma Sintering

Jalili, A., Mashtizadeh, A., Al-Harras, A. S., & Aghajani, H. (2026) · Transactions of the Indian Institute of Metals · doi:10.1007/s12666-025-03783-9

Understanding compositionally complex electrocatalysts using epitaxial films and correlative multi-scale characterization for structure–activity mapping

Kar, S., Mendoza, A. E. P., Xiu, H., Joo, M., Yusenko, K. V., Hagemann, U., Somsen, C., Pfetzing‐Micklich, J., Scheu, C., Andronescu, C., et al. (2026) · Materials Horizons · doi:10.1039/d6mh00852f

Engineering high-performance electrocatalytic systems for the conversion of CO2 to chemical fuels

Lamaison, S. (2020) · theses.fr (ABES) · doi:10.70675/d521e2dbz6a18z4a72z94b6z71a29d910958

Engineering disorder: Entropy as a design lever for stable interfaces in solid-state sodium-metal batteries

Chatterjee, A., Ganguly, D., Ramakrishna, S., Bhattacharya, S. S., & Roy, K. (2026) · Energy storage materials · doi:10.1016/j.ensm.2026.105168

The Remarkable Rise in High-Entropy Catalysts: A New Paradigm for Sustainable Hydrogen Production

Ahmad, A., Bhat, I., Liu, Q., Zhang, M., Lv, S., Cheng, F., & Li, W. (2026) · Nanomaterials · doi:10.3390/nano16090548

Multiscale modeling for the design of clean fuel catalysts in oil and gas, integrating density functional theory (DFT) and molecular dynamics (MD) simulations

Zhang, Q., Pan, Y., Yang, S., & Zhao, X. (2026) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2026.155014

Grain-Size-Dependent Hydrogen Evolution and Oxygen Evolution Reaction Behavior of a Non-Equiatomic Fe41Mn25Ni24Co8Cr2 High-Entropy Alloy

Jeong, H.-T., & Kim, W. J. (2026) · Materials · doi:10.3390/ma19091899

High entropy alloys in electrocatalytic conversion and hydrogen energy storage: Machine learning-assisted prediction of intermediate reaction descriptors- A comprehensive review

Egole, C. P., Popoola, A. P. I., & Popoola, O. (2026) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2026.155453 · Cited by 1

Stable and Active AuCu and AuPd Electrocatalysts for Platinum-Free Oxygen Reduction Reaction: Design Principles from Ligand–Strain Coupling and Gold Surface Segregation

Ozório, M. S., & Rossmeisl, J. (2026) · ACS Catalysis · doi:10.1021/acscatal.6c04024 · Cited by 1

Balancing Hydrogen and Hydroxyl Binding Energies Drives pH-Universal Hydrogen Evolution in High-Entropy Alloys

Xu, S., Gao, Y. N., Lin, G., Wang, B., & LinJie, Z. H. I. (2026) · ACS Nano · doi:10.1021/acsnano.6c05114

Electrochemical and Catalytic Properties of High-Entropy Alloys

Simi, M., Raman, A., Deepa, M. J., Appukuttan, S., & Santhy, A. (2026) · Engineering materials · doi:10.1007/978-981-92-0252-2_8

Steady‐State Atomic Configuration Control Enables Universal Synthesis of High‐Entropy Alloy Nanoparticles via Radish

Ke, S., Zhao, Y., Yang, B., Yang, F., Peng, S., Li, X., Zhu, X., Yang, S., Li, Y., Mi, R., et al. (2026) · Advanced Functional Materials · doi:10.1002/adfm.76096

Hemilability in heterogeneous catalysis: Dynamic evolution of catalyst structure under steady-state conditions

Chen, Z., Liu, Z., & Xu, X. (2026) · Elsevier eBooks · doi:10.1016/b978-0-443-44921-5.00003-1

Research Progress of High-Entropy Nanoalloys in Electrocatalysis and Secondary Battery

Xu, W., Jiaming, T. I. A. N., Haoyu, L. I., Rao, Y., & Shaohua, G. U. O. (2026) · China basic science · doi:10.3724/cbs.202602007

Electrocatalytic activity of Fe50-xMn30Cr10Co10Bx (x = 0, 3, 5, 10 at.-%) multiprincipal element alloys for green hydrogen production

Mena-Rodríguez, P., Roncery, L. M., Torres‐Mejia, L. G., Aguilar-Hurtado, J. Y., Cruz, E. D. G., Lascano, S., Chávez-Vásconez, R., & Paredes‐Gil, K. (2026) · Materials Today Chemistry · doi:10.1016/j.mtchem.2026.103751

Ultrasmall High‐Entropy Materials: Nanoscale Effects, Synthesis, and Mechanistic Insights

He, Y., Wang, W., Schweidler, S., Ma, Y., Breitung, B., & Brezesinski, T. (2026) · Advanced Functional Materials · doi:10.1002/adfm.76274

Innovative approaches utilizing selenide-based materials for green hydrogen generation via water splitting

Nazar, N., Xu, X., Li, G., Ahmed, A., Ullah, N., Chughtai, A. H., Rafiq, M., Aman, A., Yu, B., & Cong, H. (2026) · Sustainable materials and technologies · doi:10.1016/j.susmat.2026.e02108

Effect of Alloying and Phase Segregation on the Stability of High-Entropy Alloys: A Case Study on the Dissolution of Os–Ru–Rh–Ir–Pt Nanoparticles

Priamushko, T., Pittkowski, R. K., Minichová, M., Kormányos, A., Martos, V. B., Cipriano, L. A., Schlegel, N., Rohde, R., Bøjesen, E. D., Jensen, K. M. Ø., et al. (2026) · ACS Applied Engineering Materials · doi:10.1021/acsaenm.6c00379

Emerging high-entropy alloy electrocatalysts for water splitting: from fundamentals to practical applications

Liu, J., Shi, Y., Wang, L., Zhang, D., Li, P., & Wang, H. (2026) · Catalysis Science & Technology · doi:10.1039/d6cy00343e

FeNiCoCuSn nanowire: An efficient bi-functional electrocatalyst for H2O2 production

Siqi, M., Dou, Y., Sun, L., Lihua, H., & Zhao, H. (2026) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2026.189226

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

Matching d‐p Energy Levels Between High‐Entropy Alloy Catalysts and Chalcogen Cathodes for All‐Solid‐State Batteries

Luo, Z., Ge, H., Guo, K., Yan, Z., Wang, L., Zhou, Z., Zhang, X., Yang, C., & Yang, Q. (2026) · Advanced Energy Materials · doi:10.1002/aenm.71232

Gepulste Laserablation zur Synthese von Hochentropielegierungs‐Aerogelen für die H 2 O 2 ‐Produktion und Wasserentfärbung

Wang, C., Nallathambi, V., Wang, L., Kresse, J., Shkodich, N. F., Farle, M., Hübner, R., Eychmüller, A., Reichenberger, S., Barcikowski, S., et al. (2026) · Angewandte Chemie · doi:10.1002/ange.2026722

Interface corrosion engineering of self-supported multi-principal element NiFeCoZn LDH electrodes for efficient oxygen evolution

Wang, T., Zuo, Y., Shah, A., Qu, Y., Miao, H., Leung, P., & Wondimu, T. H. (2026) · Journal of Power Sources · doi:10.1016/j.jpowsour.2026.240774

Reconstructions on Disordered Surface Alloys: Strain-Minimizing First Principles Treatments for Heterogeneous Catalysis

Çakır, Z., & Greeley, J. (2026) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.6c02051

Coverage-driven activity prediction and multiobjective optimization of high-entropy alloy catalysts for hydrogen evolution

Shi, Z.-Z., Lv, H.-B., Zheng, S., & Li, J. (2026) · Chinese Journal of Structural Chemistry · doi:10.1016/j.cjsc.2026.101051

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

Electronegativity regulation and graphitization: Synergistic enhancement of wood-derived carbon-based high-entropy alloy electrocatalysts for efficient hydrogen evolution

Wang, S., Zhang, C., Xu, J., Liu, F., Dai, G., Li, J., Zhang, S., Guo, C., Ma, Y., He, S., et al. (2026) · Journal of Bioresources and Bioproducts · doi:10.1016/j.jobab.2026.100282

Microstructural Engineering and Property Optimization

Borode, A. O., Tshephe-Borode, T. S., & Olubambi, P. A. (2026) · Engineering materials · doi:10.1007/978-3-032-27627-8_7

Tailoring Interfacial Water Via High-Entropy Orbital Reconstruction for Durable Alkaline Water Electrolysis

Chen, Z., Chu, Z., Wu, P., Wang, J., Sun, Y., Hu, J., Chen, W., Guo, L., Yin, P., Zhang, T. A., et al. (2026) · Nano Letters · doi:10.1021/acs.nanolett.6c02822

Hierarchical Site‐to‐Composition Machine Learning for High‐Entropy Electrocatalysts Design

Zhen, S., Wang, L., Wang, J., Duan, H., Cai, B., & Zhang, L. (2026) · Advanced Functional Materials · doi:10.1002/adfm.77313

High-entropy-inspired multi-principal single-atom materials

Yu, L., Wang, Z., Guo, Z., Chen, H. M., & Hsu, H. (2026) · Chem · doi:10.1016/j.chempr.2026.103153

Energetically Anchored Machine-Learning Interatomic Potential Embeddings for Reliable Hydrogen Evolution Electrocatalyst Prediction

Lin, C., Chen, P.-W., & Hsueh, T.-H. (2026) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.6c01720

A Comprehensive Review of the Computational Approaches for Structure–Property Prediction of High Entropy Materials

Chabri, S., & Anand, G. (2026) · High Entropy Alloys & Materials · doi:10.1007/s44210-026-00084-8

Orientation-dependent phase transformation pathways and energy partition in shock-compressed FeCoCrCu high-entropy alloy

Li, Y., Xu, C., Shao, M., Wang, Y., Gong, C., Yi, G., Qiu, Z., Wang, Z., Liu, H., & Liu, C. (2026) · Journal of Applied Physics · doi:10.1063/5.0338548

Engineering electronic asymmetry in geometrically symmetric tri-indium molecules for NO bond activation

Nguyen-Vo, A., Wu, L., Nasir, M. T., Du, A., & Han, Y. (2026) · Molecular Catalysis · doi:10.1016/j.mcat.2026.116253

Interpretable Machine Learning Framework Deciphers the Role of Local Environment of High‐Entropy Intermetallic Compounds for Alkaline Hydrogen Evolution Reaction

Deng, H., & Yang, L. (2026) · Advanced Energy Materials · doi:10.1002/aenm.71361

Redox-driven exsolution and reintegration in high-entropy oxide catalysts

Wen, T.-H., Liu, T.-H., & Lin, Y.-C. (2026) · Journal of Materials Chemistry A · doi:10.1039/d6ta04331c

Neutronic Cocktail Effects in Compositionally Complex MaterialsPreprint

Brand, M. I., Obbard, E. G., Pickles, J., Kamal, G. S., & Burr, P. A. (2026) · SSRN Electronic Journal · doi:10.2139/ssrn.7299441

High-entropy solid-state electrolytes for next-generation all-solid-state lithium batteries

Cao, J., Li, Y., Xu, J., Li, J., Zhao, Y., & Xie, C. (2026) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2026.190509

High-entropy nanocatalysts anchored on nitrogen-doped carbon/reduced graphene oxide for accelerated polysulfide conversion in lithium-sulfur batteries

Zhu, L., Song, Y., Song, J., Shi, K., Wang, Z., & Chen, L. (2026) · Journal of Energy Storage · doi:10.1016/j.est.2026.124189

Functional Carbon-Directed Synthesis of High-Entropy Alloys with Tuned Structure for Catalysis

Ma, Y., Fu, K., Yang, Q., Qi, J., Xing, X., Bei, X., Yu, Q., Yang, C., Li, X., Zhang, Y., et al. (2026) · Journal of the American Chemical Society · doi:10.1021/jacs.6c09541

Multi-d orbital and lattice distortion synergism boosting alkaline OER activity of carbon-supported IrFeCoNiMn high-entropy nanoparticles

Ma, X., Huang, Y., Qin, W., Wang, X., Liang, X., Hu, G., & Qin, B. (2026) · RSC Advances · doi:10.1039/d6ra06296b

Active Learning for Optimizing Adsorption Energy Predictions in Large Chemical Spaces

von der Heyde, J., Malone, W., & Kara, A. (2026) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.6c02865

Data Ecosystems for Machine‐Learning Assisted Materials Design: Insights From OXD‐Like Nanozyme and ORR Catalysts

Zhang, J., Gao, Z., Zhang, L., Chen, K., & Wu, Y. S. (2026) · Small · doi:10.1002/smll.75265

High-entropy alloy catalysts: from foundational thermodynamics to machine learning-enabled discovery and closed-loop optimization for electrocatalytic applications

Mumtaz, S., Rodney, J. D., Ratnaji, T., & Kim, B. C. (2026) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2026.218431

Atomistic simulations of high-entropy alloys: from density functional theory to machine-learning interatomic potentials

Ikeda, Y., Xu, X., Kumar, P., Neugebauer, J., Zhu, L., Zhang, X., Körmann, F., & Grabowski, B. (2026) · Journal of Materials Science · doi:10.1007/s10853-026-13520-2 · Cited by 3

Thermodynamically guided design of high-entropy alloy electrocatalysts for efficient and durable overall water splitting: From scalable synthesis to atomic-scale understanding of enhanced reaction kinetics

Chandran, M., Sharma, P., Singh, P., Prasad, B. L. V., & Singh, A. K. (2026) · Chemical Engineering Journal · doi:10.1016/j.cej.2026.181416

Harnessing multi-active sites in waste-derived catalysts toward efficient photocatalytic ozonation

Yu, Y., Cao, J., Ji, Z., Wu, M., & Yang, H. (2026) · Journal of Water Process Engineering · doi:10.1016/j.jwpe.2026.110800

Non-equilibrium Joule heating for electrocatalysts: a coordination chemistry perspective

Kuang, L., Maheskumar, V., Li, J., & Chen, Y. (2026) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2026.218467

Surface Atomic Arrangements on High-Entropy-Alloy Nanocrystals Govern Alkaline Hydrogen Oxidation via Symmetry-Selected Multi-Atom Ensembles

Lee, K. Y., Hou, L.-Y., Hsiao, Y., Wu, C., Tsai, Y.-S., Chang, C., Lin, J., Lin, S., Wu, C.-Y., He, Z.-Y., et al. (2026) · Journal of the American Chemical Society · doi:10.1021/jacs.6c13325

Machine learning interatomic potentials for high-entropy alloys: from atomic mechanisms to macroscopic design

Bari, A., Huang, J., Ishfaq, M., Dong, C., Yan, S., & Karim, A. (2026) · Computational Materials Science · doi:10.1016/j.commatsci.2026.115016

Reliability assessment of machine learning models for single-atom alloy catalyst screening: A chemistry-aware validation framework for methane C–H activation barrier prediction

Faisal, M. A., Asif, M. A., Razi, M. S. A., Maheen, M. A., & Sharif, A. (2026) · Computational Materials Today · doi:10.1016/j.commt.2026.100065

Electrochemical activation of High-Entropy Transition Metal Dichalcogenides for CORRPreprint

Pervolarakis, E., Tripathi, P., Singh, A. K., & Rossmeisl, J. (2026) · SSRN Electronic Journal · doi:10.2139/ssrn.7435464

Advanced quantifying and tuning short-range order parameters in alloys: a review

Greculeasa, S. G. (2026) · The European Physical Journal Plus · doi:10.1140/epjp/s13360-026-08252-w

Statistical origin of CO tolerance during alkaline hydrogen oxidation on a PtRuNiCoFeMo high-entropy alloy

Peng, Y., & Deng, C. (2026) · Ionics · doi:10.1007/s11581-026-07511-1

Mesoporous Hexametallic High‐Entropy Alloy Nanotubes With Multicomponent Electronic Modulation for Efficient Bifunctional Catalysis

Pan, H., Liu, Q., Chen, F., Liu, S., Zhang, Z., Chen, Z., & Gao, F. (2026) · Rare Metals · doi:10.1002/rar2.70633

Influence of annealing on the surface structure of a magnetron sputter-deposited quinary compositionally complex alloy on the microscalePreprint

Rudnik, C., Pan, Y.-H., Osterloh, N., Birkner, A. S., Savan, A., Ludwig, A., & Morgenstern, K. (2026) · SSRN Electronic Journal · doi:10.2139/ssrn.7478149

Kinetic control preserves the single-phase fcc structures of CuPdAgPt x Au high-entropy alloy nanoparticles

Pohl, F., Stuckert, R., Calvo, F., Prymak, O., Apanowicz, N., Rehbock, C., Schürmann, U., Barcikowski, S., & Kienle, L. (2026) · Nanoscale · doi:10.1039/d6nr02673g

Editorial: Transition Metal Catalysts—Design, Synthesis, and Applications

Zhang, W. (2026) · Inorganics · doi:10.3390/inorganics14090245

Understanding nitrogen adsorption in compositionally disordered oxides through descriptor-based machine learning

Nguyen, D. P., Kang, B., & Kwon, H. (2026) · Surfaces and Interfaces · doi:10.1016/j.surfin.2026.110753

Criteria for Justifying High-Entropy Complexity in Catalytic Cancer Therapy

Hossain, M. S., & Firoz, S. H. (2026) · ACS Materials Letters · doi:10.1021/acsmaterialslett.6c00660

Configurational entropy‑driven platinum‑based high‑entropy alloys: Achieving intrinsic activity enhancement for oxygen reduction reaction catalysts

Guo, H., Liu, Z., Lai, Q., Wang, P., Shu, J., & Yi, T. (2026) · Chinese Chemical Letters · doi:10.1016/j.cclet.2026.113469

Influence of Ru Content on Defect Formation and Electrocatalytic Activity of Au‐Pd‐Pt‐Ru Compositionally Complex Solid Solution Thin Films for the Hydrogen Evolution Reaction

Joo, M., Xiu, H., Baha, S., Zerdoumi, R., Cheng, N., Somsen, C., Li, Y., Kostka, A., Schuhmann, W. W., Ludwig, A., et al. (2026) · Advanced Science · doi:10.1002/advs.77600

A Multi‐Scale Machine Learning Framework for the Inverse Design of High Entropy Alloys

Takoutsin, M., Campolucci, M., Ishiki, N. A., Mirgot, N., Zhamantay, N., Kanoufi, F., Péron, J., Charléty, J., Fonda, E., Briois, V., et al. (2026) · Advanced Engineering Materials · doi:10.1002/adem.71304

Structural innovations in oxygen reduction electrocatalysts for proton exchange membrane fuel cells

Sun, J., Chen, S., & Zhang, S. (2026) · Materials Science and Engineering R Reports · doi:10.1016/j.mser.2026.101310

Tunable Mo-incorporated FeCoNiMoP amorphous catalyst enables low-voltage UOR-driven water electrolysis

Yang, K., Yang, J., Peng, Y., Chen, S.-Q., Jiang, W., 彭海龙, Feng, T., & Lan, S. (2026) · Progress in Natural Science Materials International · doi:10.1016/j.pnsc.2026.08.023

Particle Swarm Optimization as a Noise‐Tolerant Strategy for High‐Entropy Alloy Research

Tirmidzi, A., Arenz, M., & Mints, V. A. (2026) · Advanced Intelligent Discovery · doi:10.1002/aidi.70167

Review on surface reconstruction in high-entropy electrocatalysts

Xue, Q., Mollania, H., He, R., Khan, M. D., Moghaddam, A. O., Yu, J., Arbiol, J., & Cabot, A. (2026) · Journal of Materials Science · doi:10.1007/s10853-026-13847-w

A broad review of metal/metal oxide based integrated thermal, biochemical and electrochemical systems for waste into hydrogen conversion

Sri, P. S. B. J. K., & Gopu, G. (2026) · Renewable and Sustainable Energy Reviews · doi:10.1016/j.rser.2026.117579

MXene Electrocatalysts for Selective Nitrogen Reduction Reaction‐to‐Ammonia Production: Surface Chemistry, Electronic Framework, and Design Principles

Ali, S. A., Sadiq, I., Ahmad, T., & Shaikh, M. N. (2026) · Carbon Neutralization · doi:10.1002/cnl2.70210

Computationally Guided Design of Facet-Defined Multielement Active Sites on Hexagonal Close-Packed High-Entropy-Alloy Nanosheets for Alkaline Hydrogen Evolution

He, Z.-Y., Wu, C.-Y., Liu, T.-H., Lin, J., Chang, C.-W., Wu, C., Lin, S., Chen, Y., Lin, K., Pao, C., et al. (2026) · ACS Catalysis · doi:10.1021/acscatal.6c05434

Valorization of bio-derived aldehydes: selectivity-adjustable and external hydrogen-free reduction of citronellal with a high entropy catalyst

Liu, Z., Bi, Y., Wang, J., Shi, Y.-P., Zhang, Y., & Tong, X. (2026) · Reaction Chemistry & Engineering · doi:10.1039/d6re00334f

Rational design of high-entropy material-based catalysts for direct seawater electrolysis: breaking the activity-selectivity-stability tradeoff

Feng, C., Zhou, Y., Xie, Z., & Guoqing, G. (2026) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2026.218632

Efficient oxygen evolution reaction of FeCoNiWx medium entropy alloy film electrodes for water splittingPreprint

Liu, Y., Zhang, H., Gao, Y., Jiang, Z., Zhang, W., Song, T., Zhang, Y., Pan, Y., Yang, P., & Zhu, K. (2026) · Research Square · doi:10.21203/rs.3.rs-10891926/v1

Mapping hydrogen adsorption environments in Pt-diluted CoFeMoNiPt high-entropy alloy via DFT and MLIP-assisted screening

Sattar, M. A., & Ali, M. (2026) · Surfaces and Interfaces · doi:10.1016/j.surfin.2026.111088

Accelerated Discovery of Earth‐Abundant Oxygen Evolution Catalysts Through Surface‐Informed Active Learning

Jeon, H., Park, M., Lee, W. S., Park, S., Kim, Y., & Mhin, S. (2026) · Advanced Science · doi:10.1002/advs.78281

Agent-driven discovery of advanced high-entropy alloy electrocatalysts for next-generation fuel cells

Zhang, H., Que, Y., Pei, M., Khan, K., Wang, G., & Lin, B. (2026) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2026.158046

High-Entropy Materials for Electrochemical Gas Conversion

Guo, H., Gong, J., Zhou, Y., Chu, K., Liu, C., Guan, Y., Roeffaers, M. B. J., Hofkens, J., Zbořil, R., Müllen, K., et al. (2026) · Chemical Reviews · doi:10.1021/acs.chemrev.6c00135

High-entropy materials for overall water splitting: recent progress, catalytic mechanisms, challenges, and future perspectives

Dawood, A., Khan, H., Ayub, A., Waseem, M., Baig, F., & Narasimharao, K. (2026) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2026.192189

Machine Learning-Guided Design of High Entropy Oxides for Photo-Electrocatalysis and Sustainable Energy Conversion

Bilal, M., Sabir, M., Wali, N., Sun, H., Yildirim, Y., & Radwan, T. (2026) · Catalysts · doi:10.3390/catal16110972

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

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