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

Multi-site synergistic hydrogen evolution reactions on porous homogeneous FeCoNiCu high-entropy alloys fabricated by solution combustion synthesis and hydrogen reduction

Guo, F., Zhang, Y., Shen, B., Wan, L., Hou, G., Cao, H., Zheng, G., Zhao, Y., & Zhang, H. (2024) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2024.175356 · Cited by 21

Sodium storage performance of a high entropy sulfide anode with reduced volume expansion

Ma, J., Guo, J., Li, W., Yang, X., & Huang, C. (2024) · Journal of Materials Chemistry A · doi:10.1039/d4ta05122j · Cited by 20

Restricting the over-oxidation of active sites in high-entropy electrocatalysts towards ultra-stabilized oxygen evolution in alkaline water electrolysis

Zhang, Y., Kang, J., Xie, H., Yin, H., Zhang, Z., Ma, Y., Sun, G., Liu, E., Ma, L., Chen, B., et al. (2024) · Journal of Materials Chemistry A · doi:10.1039/d4ta05449k · Cited by 19

High‐Entropy Metal Interstitials Activate TiO2 for Robust Catalytic Oxidation

Liu, X., Wu, G., Han, X., Wang, Y., Wu, B., Wang, G., Mu, Y., & Hong, X. (2025) · Advanced Materials · doi:10.1002/adma.202416749 · Cited by 19

Surface Segregation-Driven Composition–Activity Mapping of High-Entropy Alloy Nanoparticles for Oxygen Reduction Reaction

Ye, Q., Cheng, Y., & Cao, L. (2026) · ACS Catalysis · doi:10.1021/acscatal.5c06492 · Cited by 19

Navigating multimetallic catalyst space with Bayesian optimization

Peng, J., Damewood, J., Karaguesian, J., Gómez‐Bombarelli, R., & Shao‐Horn, Y. (2021) · Joule · doi:10.1016/j.joule.2021.11.011 · Cited by 20

A Molten Salt Synthesis Method of the High-Entropy Alloy CrMnFeCoNi for High Catalytic Performance and Low Life Cycle GHG Emissions

Kobayashi, Y., Teah, H. Y., Yokoyama, S., Shoji, R., & Hanada, N. (2022) · ACS Sustainable Chemistry & Engineering · doi:10.1021/acssuschemeng.2c04007 · Cited by 19

High-Entropy Materials: Features for Lithium–Sulfur Battery Applications

Yao, Y., Chen, J., Niu, R., Zhao, Z., & Wang, X. (2023) · Metals · doi:10.3390/met13050833 · Cited by 20

Grain-Boundary-Activity Correlation for Electrocatalytic Oxygen Evolution in High-Entropy Alloys

Zhang, T., Gao, N., Chen, Z.-J., Zhao, H.-F., Wang, Y., Yao, J. Q., Peng, J., Sun, Y., Yu, H., & Liu, X. (2023) · PRX Energy · doi:10.1103/prxenergy.2.033011 · Cited by 20

Understanding the evolution of catalytically active multi-metal sites in a bifunctional high-entropy alloy electrocatalyst for zinc–air battery application

Madan, C., Jha, S. R., Katiyar, N. K., Singh, A., Mitra, R., Tiwary, C. S., Biswas, K., & Halder, A. (2023) · Energy Advances · doi:10.1039/d3ya00356f · Cited by 19

Modulating electron structure of active sites in high-entropy metal sulfide nanoparticles with greatly improved electrocatalytic performance for oxygen evolution reaction

Bo, L., Fang, J., Yang, S., Nian, F., Pu, L., Ma, Z., & Tong, J. (2024) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2024.08.221 · Cited by 19

In-situ reconstruction of non-noble multi-metal core-shell oxyfluorides for water oxidation

Zhu, Y., Dai, W., Zhong, X., Lü, T., & Pan, Y. (2021) · Journal of Colloid and Interface Science · doi:10.1016/j.jcis.2021.05.170 · Cited by 19

Design of corrosion-resistant eutectic high-entropy alloys via hybrid data-driven and expert-guided strategies

Dong, S., Xiong, J., Tian, Y., Chen, S., Liang, W., & Zhang, T. (2025) · Corrosion Science · doi:10.1016/j.corsci.2025.113024 · Cited by 18

High-Entropy Alloy Nanocrystals: From Synthesis to Characterization and Catalytic Application

He, J., Hsiao, Y., Wu, C., Younan Xia, A., & Yang, T. (2026) · Chemical Reviews · doi:10.1021/acs.chemrev.6c00030 · Cited by 20

High-entropy nanostructured electrocatalysts for water and carbon dioxide electrolysis

Wang, G., Chen, J., Wen, Z., & Li, J. (2024) · Science China Materials · doi:10.1007/s40843-024-2967-2 · Cited by 18

Coverage, repulsion, and reactivity of hydrogen on High-Entropy alloys

Østergaard, F. C., Abild‐Pedersen, F., & Rossmeisl, J. (2024) · Journal of Catalysis · doi:10.1016/j.jcat.2024.115570 · Cited by 18

Accelerating the Discovery of Oxygen Reduction Electrocatalysts: High‐Throughput Screening of Element Combinations in Pt‐Based High‐Entropy Alloys

Pan, Y., Shan, X., Cai, F., Gao, H., Xu, J., & Zhou, M. (2024) · Angewandte Chemie · doi:10.1002/ange.202407116 · Cited by 17

Recent advances in high-entropy solid electrolytes for all-solid-state lithium batteries

Chen, Y., Yue, F., Ren, Y., Huang, K., & Han, S. (2025) · EnergyChem · doi:10.1016/j.enchem.2025.100157 · Cited by 17

Nano high-entropy materials for bifunctional oxygen electrocatalysis: Rational design, structure-activity relationships, and applications in rechargeable metal-air batteries

Dolla, T. H., Mbokazi, S. P., Matthews, T., Mohamed, R., Sikeyi, L. L., Tukur, U. M., Wang, J., Msomi, P. F., Maboya, W. K., Makgwane, P. R., et al. (2025) · Energy storage materials · doi:10.1016/j.ensm.2025.104357 · Cited by 17

From prediction to synthesis: DFT-active learning-guided design of multimetallic catalysts for hydrogen evolution

Park, M., Kim, M., Kim, Y., Kwak, S. J., Jung, W., Jung, H., Lee, W. B., & Kim, Y. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.164693 · Cited by 17

Facile synthesis of metal carbides with high-entropy strategy for engineering electrical properties

Bao, A., Wu, J., Zhang, Y., Wang, X., Zhang, X., Gu, Y., & Qi, X. (2023) · Journal of Materials Research and Technology · doi:10.1016/j.jmrt.2023.01.053 · Cited by 17

A First-Principles Approach to Modeling Surface Site Stabilities on Multimetallic Catalysts

Saini, S., Stenlid, J. H., Deo, S., Pleßow, P. N., & Abild‐Pedersen, F. (2024) · ACS Catalysis · doi:10.1021/acscatal.3c04337 · Cited by 17

Deep Eutectic Solvent-Assisted Corrosion Boosting Bulk FeCoNiCrMo High-Entropy Alloys as Highly Efficient Oxygen Evolution Reaction Catalyst

Xu, Y.-C., Chen, W., Zhou, J., Hu, C., He, S., Liu, H., & Hua, Z. (2024) · Langmuir · doi:10.1021/acs.langmuir.4c00769 · Cited by 17

Ultrathin high-entropy layered double hydroxide electrocatalysts for enhancing oxygen evolution reaction

Chu, X., Wang, T., Wang, H., Du, B., Guo, G., Zhou, Y., & Dong, X. (2024) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2024.175584 · Cited by 18

Theoretical Catalyst Screening of Multielement Alloy Catalysts for Ammonia Synthesis Using Machine Learning Potential and Generative Artificial Intelligence

Hisama, K., Ishikawa, A., Aspera, S. M., & Koyama, M. (2024) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.4c04018 · Cited by 17

Electrocatalytic aldehyde oxidation: an emerging anodic reaction for efficient electrolytic systems

Hu, F., Wang, P., Lu, Z., Chen, K., Ding, Y., Wang, L., & Wen, Z. (2025) · Sustainable Energy & Fuels · doi:10.1039/d4se01515k · Cited by 17

Dimensionality reduction of complex reaction networks in heterogeneous catalysis: From l inear‐scaling relationships to statistical learning techniques

Pablo‐García, S., García‐Muelas, R., Sabadell‐Rendón, A., & López, N. (2021) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.1540 · Cited by 18

Calibrating SECCM measurements by means of a nanoelectrode ruler. The intrinsic oxygen reduction activity of PtNi catalyst nanoparticles

Tetteh, E. B., Löffler, T., Tarnev, T., Quast, T., Wilde, P., Aiyappa, H. B., Schumacher, S., Andronescu, C., Tilley, R. D., Chen, X., et al. (2021) · Nano Research · doi:10.1007/s12274-021-3702-7 · Cited by 19

Entropy driven synthesis of new materials

Dragoe, N. (2002) · Materials Lab · doi:10.54227/mlab.20220001 · Cited by 17

Interpretable physics-informed machine learning approaches to accelerate electrocatalyst development

Wu, H., Chen, M., Cheng, H., Yang, T., Zeng, M., & Yang, M. (2025) · Journal of Materials Informatics · doi:10.20517/jmi.2024.67 · Cited by 21

Advanced high-entropy alloys for nanoelectrocatalysts: Characterization, structure design, preparation and applications

Wang, S., Duan, G., Han, X., Shi, Q., Huang, Y. D., Zhang, C., He, S., Zhao, H., Ma, C., & Jiang, S. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.164072 · Cited by 16

Design strategies for high entropy materials in water electrolysis: Enhancing activity, stability, and reaction kinetics

Zhang, J., Sha, S., Ni, J., Wang, Y., Wu, Y., Hart, J. N., Ferry, M., Liu, B., & Li, W. (2025) · Journal of Advanced Ceramics · doi:10.26599/jac.2025.9221152 · Cited by 16

Elektrokatalyse als Nexus für nachhaltige erneuerbare Energien – der gordische Knoten aus Aktivität, Stabilität und Selektivität

Masa, J., Andronescu, C., & Schuhmann, W. W. (2020) · Angewandte Chemie · doi:10.1002/ange.202007672 · Cited by 16

Rational design of catalysts with earth‐abundant elements

Xu, G., Cai, C., Zhao, W., Liu, Y., & Wang, T. (2022) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.1654 · Cited by 18

Solid-particle erosion of a dual-phase AlCoFeNi2 high-entropy alloy

Wang, W., Haché, M. J. R., Cheng, C., Lyu, T., Liu, Z., Papini, M., & Zou, Y. (2023) · Wear · doi:10.1016/j.wear.2023.204971 · Cited by 16

Recent advances in the data-driven development of emerging electrocatalysts

Ding, K., Yang, T., Leung, M. T., Yang, K., Cheng, H., Zeng, M., Li, B., & Zeng, M. (2023) · Current Opinion in Electrochemistry · doi:10.1016/j.coelec.2023.101404 · Cited by 16

Utilizations of High Entropy Alloy Nanoparticles for Gas Sensors

Kumar, S., & Kumar, M. (2024) · Transactions of Indian National Academy of Engineering · doi:10.1007/s41403-023-00447-2 · Cited by 16

Alloys innovation through machine learning: a statistical literature review

Valizadeh, A., Sahara, R., & Souissi, M. (2024) · Science and Technology of Advanced Materials Methods · doi:10.1080/27660400.2024.2326305 · Cited by 18

Toward understanding CO oxidation on high-entropy alloy electrocatalysts

Salinas‐Quezada, M. P., Pedersen, J. K., Pascual, P. S., Chorkendorff, I., Biswas, K., Rossmeisl, J., & Escudero‐Escribano, M. (2024) · EES Catalysis · doi:10.1039/d4ey00023d · Cited by 16

Design von komplexen Mischkristall‐Elektrokatalysatoren auf Basis der Korrelation von Konfiguration, Verteilungsmustern der Adsorptionsenergie und Aktivitätskurven

Löffler, T., Savan, A., Meyer, H., Meischein, M., Strotkötter, V., Ludwig, A., & Schuhmann, W. W. (2019) · Angewandte Chemie · doi:10.1002/ange.201914666 · Cited by 16

Activated Porous Highly Enriched Platinum and Palladium Electrocatalysts from Dealloyed Noncrystalline Alloys for Enhanced Hydrogen Evolution

Sahu, A., Mondal, K., & Pala, R. G. S. (2020) · ChemElectroChem · doi:10.1002/celc.202001230 · Cited by 16

Electrocatalysts for the Oxygen Reduction Reaction: From Bimetallic Platinum Alloys to Complex Solid Solutions

Martínez‐Hincapié, R., & Čolić, V. (2022) · ChemEngineering · doi:10.3390/chemengineering6010019 · Cited by 20

General Model for d-Center Prediction in Multi-Principal-Element Alloys

Wang, L., Zhang, Y., James, K., & Ouyang, B. (2025) · Journal of the American Chemical Society · doi:10.1021/jacs.5c05649 · Cited by 15

Ultrathin high-entropy alloy nanowires as a bi-functional catalyst for the hydrogen evolution reaction and methanol oxidation reaction

Han, S., Xu, L., Ma, C., Cao, W., & Lu, Q. (2025) · Journal of Materials Chemistry A · doi:10.1039/d5ta03751d · Cited by 15

Machine Learning‐Guided Design of L1 2 ‐Type Pt‐Based High‐Entropy Intermetallic Compound for Electrocatalytic Hydrogen Evolution

Wang, Z., Chen, X., Lin, T., Zhang, B., Song, K., Gu, L., Edvinsson, T., Liu, H., Araujo, R. B., & Yu, X. (2025) · Advanced Materials · doi:10.1002/adma.202510424 · Cited by 15

Synthesizing high-entropy alloy materials and coatings using a bilayer ice recrystallization method

Li, K., Sun, X., Wu, Q., Zhang, C., Wang, D., Guo, S., Chen, X., Chen, X., Xu, T., Du, R., et al. (2025) · Nature Synthesis · doi:10.1038/s44160-025-00931-3 · Cited by 15

Advanced high-entropy materials for fuel cells and water electrolysis

Liu, M., Luo, X., Wang, G., Gebreslassie, G., Desta, H. G., Zhang, J., Lin, B., Yan, W., & Zhang, J. (2026) · Chemical Society Reviews · doi:10.1039/d5cs01274k · Cited by 17

High throughput screening of noble Metal-Free High-Entropy alloys catalysts for selective catalytic oxidation of NH3

Chen, L., Yang, J., Zhang, Z., Wu, F., Yao, Y., Zhang, A., Duan, X., & Shan, B. (2023) · Applied Surface Science · doi:10.1016/j.apsusc.2023.157354 · Cited by 15

Single-crystal nanoporous high-entropy (oxy)hydroxides nanosheets for electrocatalysis: Structure and electronic dual enhancement

Xu, H., Hu, Y., Lin, X., Liu, D., Liang, J., Bian, X., Reddy, K. M., & Qiu, H. (2023) · Applied Surface Science · doi:10.1016/j.apsusc.2023.157624 · Cited by 15

Energy Transfer by Mechanical Alloying and Electrocatalytic Performance of the As‐Sintered Self‐Supported High‐Entropy Alloy FeNiCoCuMo

Jiménez-Arévalo, V. M., Mártín, P., Pío, E., Pavez, J., Aguilar, C. E., Suryanarayana, C., & Paez, M. A. (2024) · Advanced Engineering Materials · doi:10.1002/adem.202400807 · Cited by 15

Printed High‐Entropy Prussian Blue Analogs for Advanced Non‐Volatile Memristive Devices

He, Y., Ting, Y., Hu, H., Diemant, T., Dai, Y., Lin, J. C., Schweidler, S., Marques, G. C., Hahn, H., Ma, Y., et al. (2024) · Advanced Materials · doi:10.1002/adma.202410060 · Cited by 15

Recent advances of high-entropy materials as electrocatalysts for rechargeable Zn-air batteries

Zhou, K. X., Liu, S., & Li, L. (2025) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2024.178435 · Cited by 15

The role of metastability in enhancing water-oxidation activity

Vonrüti, N., & Aschauer, U. (2019) · Physical Chemistry Chemical Physics · doi:10.1039/c9cp04859f · Cited by 15

A Mean‐Field Model for Oxygen Reduction Electrocatalytic Activity on High‐Entropy Alloys**

Pedersen, J. K., Clausen, C. M., Skjegstad, L. E. J., & Rossmeisl, J. (2022) · ChemCatChem · doi:10.1002/cctc.202200699 · Cited by 15

Higher Suitability of NbMoTaW over Its Elemental Metals for Laser Induced Periodic Surface Structure/Particle-Aggregate UV-to-MIR Ultrabroadband Absorber

Zhang, D., Li, C., Xu, J., Liu, R., Duan, R., Feng, K., & Li, Z. (2023) · Scripta Materialia · doi:10.1016/j.scriptamat.2023.115276 · Cited by 15

Uncertainty quantification of predicting stable structures for high-entropy alloys using Bayesian neural networks

Zhou, Y., & Yang, B. (2023) · Journal of Energy Chemistry · doi:10.1016/j.jechem.2023.02.028 · Cited by 15

Emerging Pd-based electrocatalysts and supports for ethanol oxidation reaction: High-entropy and single-atom materials

Fakude, C. T., Haruna, A. B., & Ozoemena, K. I. (2024) · Inorganica Chimica Acta · doi:10.1016/j.ica.2024.122377 · Cited by 14

Boosting HER activity of FeCoNiMnZn high-entropy alloys supported on nitrogen-doped carbon nanotubes

Ye, H., Su, J., Yang, G., Zhou, L., Xie, Y., Zhan, X., Tian, J., & Tong, X. (2025) · Materials Today Communications · doi:10.1016/j.mtcomm.2025.112365 · Cited by 14

Crystalline and amorphous structure selectivity of ignoble high-entropy alloy nanoparticles during laser ablation in organic liquids is set by pulse duration

Stuckert, R., Pohl, F., Prymak, O., Schürmann, U., Rehbock, C., Kienle, L., & Barcikowski, S. (2025) · Beilstein Journal of Nanotechnology · doi:10.3762/bjnano.16.84 · Cited by 16

High-entropy alloys as advanced electrocatalysts: Structural engineering and performance optimization for sustainable energy conversion

Zhu, A., Pan, Y., Chang, Z., Cao, X., & Gao, J. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.171157 · Cited by 15

In silico design of copper-based alloys for ammonia synthesis from nitric oxide reduction accelerated by machine learning

Feng, J., Ji, Y., & Li, Y. (2023) · Journal of Materials Chemistry A · doi:10.1039/d3ta01883k · Cited by 14

Progresses on high-entropy nano-catalysts for electrochemical energy conversion reactions

Zhang, L., Wu, T., Zhan, Y., Dong, Y., Wei, F., Zhang, D., Zhou, B., Tan, Z., Zhao, C., & Long, X. (2024) · Journal of Materials Chemistry A · doi:10.1039/d3ta07107c · Cited by 15

Uniting activity design principles of anode catalysts for direct liquid fuel cells

Zheng, D. J., Peng, J., McCormack, K. L., Xu, H., Kang, J. S., Wang, Z., Ren, Z., Li, J., Román‐Leshkov, Y., & Shao‐Horn, Y. (2024) · EES Catalysis · doi:10.1039/d4ey00100a · Cited by 16

Achieving rational design of alloy catalysts using a descriptor based on a quantitative structure–energy equation

Ding, Y., Xu, Y., Mao, Y., Wang, Z., & Hu, P. (2020) · Chemical Communications · doi:10.1039/c9cc09251j · Cited by 14

A predictive model of surface adsorption in dissolution on transition metals and alloys

Li, B., Li, X., & Gao, W. (2022) · Journal of Materials Chemistry A · doi:10.1039/d1ta10795j · Cited by 14

Was macht Hochentropie‐Legierungen zu außergewöhnlichen Elektrokatalysateuren?

Löffler, T., Ludwig, A., Rossmeisl, J., & Schuhmann, W. W. (2021) · Angewandte Chemie · doi:10.1002/ange.202109212 · Cited by 14

Predicting metal–metal interactions. I. The influence of strain on nanoparticle and metal adlayer stabilities

Streibel, V., Choksi, T. S., & Abild‐Pedersen, F. (2020) · The Journal of Chemical Physics · doi:10.1063/1.5130566 · Cited by 14

Machine learning‐accelerated computational screening of CrNiCu ternary alloy as superior cocatalyst for photocatalytic hydrogen evolution

Sang, S., Zhang, K., Yin, L., & Liu, G. (2025) · Materials Genome Engineering Advances · doi:10.1002/mgea.70014 · Cited by 13

Solution Plasma Synthesis of High‐Entropy Alloy Nanoparticles with Self‐Limiting Oxidation for Photothermal CO 2 Reduction

Li, D., Wu, Q., Wang, C., Sun, Z., Li, Y., Yin, Z., Liu, Y., & Zhang, X. (2025) · Advanced Materials · doi:10.1002/adma.202518092 · Cited by 13

Complex‐Solid‐Solution Electrocatalyst Discovery by Computational Prediction and High‐Throughput Experimentation**

Batchelor, T. A. A., Löffler, T., Xiao, B., Krysiak, O. A., Strotkötter, V., Pedersen, J. K., Clausen, C. M., Savan, A., Li, Y., Schuhmann, W. W., et al. (2020) · Angewandte Chemie · doi:10.1002/ange.202014374 · Cited by 13

High entropy intermetallic compounds: A discovery platform for structure–property correlations and materials design principles in electrocatalysis

Zerdoumi, R., Ludwig, A., & Schuhmann, W. W. (2024) · Current Opinion in Electrochemistry · doi:10.1016/j.coelec.2024.101590 · Cited by 14

Low-temperature synthesized amorphous quasi-high-entropy carbonate electrocatalyst with superior surface self-optimization for efficient water oxidation

Lü, C., Li, M., Zhang, X., Hou, H., Li, X., Yang, X., Liu, X., Ding, Y., Hou, J., & Wang, Y. (2022) · Ceramics International · doi:10.1016/j.ceramint.2022.12.067 · Cited by 13

The interplay between size, shape, and surface segregation in high-entropy nanoalloys

Calvo, F. (2023) · Physical Chemistry Chemical Physics · doi:10.1039/d3cp01869e · Cited by 13

Combinatorial Screening of Electronic and Geometric Effects in Compositionally Complex Solid Solutions Toward a Rational Design of Electrocatalysts

Zerdoumi, R., Savan, A., Marshal, A., Tetteh, E. B., Lourens, F., Krysiak, O. A., Junqueira, J. R. C., Ludwig, A., & Schuhmann, W. W. (2023) · Advanced Energy Materials · doi:10.1002/aenm.202302177 · Cited by 13

Energy conversion and environmental protection applications of advanced high-entropy alloy nanomaterials: A perspective

Cui, P., Peng, K., Miao, F., & Gu, T. (2025) · Renewable and Sustainable Energy Reviews · doi:10.1016/j.rser.2025.116301 · Cited by 12

Severe Plastic Deformation for Advanced Electrocatalysts for Electrocatalytic Hydrogen Production

Jian, X., Li, J., He, L., Li, H., Zhang, M., Zhang, P., & Lin, H. (2023) · MATERIALS TRANSACTIONS · doi:10.2320/matertrans.mt-mf2022011 · Cited by 12

Data driven design of compositionally complex energy materials

Wang, L., He, Z., & Ouyang, B. (2023) · Computational Materials Science · doi:10.1016/j.commatsci.2023.112513 · Cited by 14

Unravelling CO2 Reduction Reaction Intermediates on High Entropy Alloy Catalysts: An Interpretable Machine Learning Approach to Establish Scaling Relations

Roy, D., Mandal, S. C., Das, A., & Pathak, B. (2023) · Chemistry - A European Journal · doi:10.1002/chem.202302679 · Cited by 12

Adsorbate-Dependent Electronic Structure Descriptors for Machine Learning-Driven Binding Energy Predictions in Diverse Single Atom Alloys: A Reductionist Approach

Shirani, J., Valdés, J. J., Tchagang, A., & Bevan, K. H. (2024) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.3c07398 · Cited by 12

Engineering Pt-group high-entropy alloy for electrocatalytic fuel oxidation

Li, W., Wang, T., Chu, X., Lv, H., Cheng, X., Zhou, Y., & Li, X. (2024) · Materials Today Energy · doi:10.1016/j.mtener.2024.101580 · Cited by 12

N2 dissociation on AuCoFeMoRu high-entropy alloys: Circumventing scaling relations and step dependencies

Christensen, O. P., Hutu, A.-I., Kristoffersen, H. H., & Rossmeisl, J. (2024) · Journal of Catalysis · doi:10.1016/j.jcat.2024.115572 · Cited by 12

Microstructural evolution and mechanical properties of CrCoFeMnNi high-entropy alloys under femtosecond laser ablation: A molecular dynamics approach

Li, D., Shi, H., Liang, D., Liang, Z., Zhang, L., Ding, W., & Su, X. (2025) · Journal of Materials Research and Technology · doi:10.1016/j.jmrt.2025.02.247 · Cited by 12

A universal picture for ejecting atoms on metallics

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