High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design

Abstract Hydrogen energy generation faces challenges in efficiency and economic viability due to reliance on scarce noble metal catalysts. This study aimed to develop platinum-doped nickel-iron metal-organic framework (Pt-NiFe-MOF) catalysts with controlled metal ratios and pore architecture for enh...

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Main Authors: Kenzhebatyr Zh. Bekmyrza, Kairat A. Kuterbekov, Asset M. Kabyshev, Marzhan M. Kubenova, Aliya A. Baratova, Nursultan Aidarbekov, Mesfin Diro Chaka, Natei Ermias Benti
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Scientific Reports
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Online Access:https://doi.org/10.1038/s41598-025-08306-6
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author Kenzhebatyr Zh. Bekmyrza
Kairat A. Kuterbekov
Asset M. Kabyshev
Marzhan M. Kubenova
Aliya A. Baratova
Nursultan Aidarbekov
Mesfin Diro Chaka
Natei Ermias Benti
author_facet Kenzhebatyr Zh. Bekmyrza
Kairat A. Kuterbekov
Asset M. Kabyshev
Marzhan M. Kubenova
Aliya A. Baratova
Nursultan Aidarbekov
Mesfin Diro Chaka
Natei Ermias Benti
author_sort Kenzhebatyr Zh. Bekmyrza
collection DOAJ
description Abstract Hydrogen energy generation faces challenges in efficiency and economic viability due to reliance on scarce noble metal catalysts. This study aimed to develop platinum-doped nickel-iron metal-organic framework (Pt-NiFe-MOF) catalysts with controlled metal ratios and pore architecture for enhanced water electrolysis. The NiFe-MOF framework was first synthesized via a solvothermal method, which was then subjected to post-synthetic modification to introduce controlled platinum loadings (0.5-2.0 wt%). The pore structure was tuned using a mixed-linker strategy (H₄DOBDC ratios 1:0 to 1:1). Catalysts were characterized using PXRD, HRTEM, BET, XPS, and ICP-OES techniques. Electrochemical performance was analyzed in 1.0 M KOH. A custom-designed integrated electrolysis system at 75 °C assessed practical performance. The Pt-NiFe-MOF-1.0 catalyst with H₄DOBDC ratio of 1:0.5 achieved remarkable effectiveness, requiring overpotentials of only 253 mV for OER and 58 mV for HER when operating at 10 mA/cm². This catalyst featured an optimal pore diameter of 4.2 nm and surface area of 1325 m²/g. DFT calculations revealed platinum incorporation created synergistic effects by modifying hydrogen binding energies. Furthermore, DFT calculations and XPS analysis revealed that the role of platinum in the OER is not direct catalysis, but rather a powerful electronic modulation effect; Pt dopants withdraw electron density from adjacent Ni and Fe centers, promoting the formation of higher-valent Ni³⁺/Fe³⁺ species that are intrinsically more active and lowering the energy barrier for the rate-determining O-O bond formation step. The integrated system achieved 1.62 V at 100 mA/cm² with 75.8% energy efficiency, maintaining stability for 200 h with 15–30 times lower precious metal loading than conventional systems. Strategic incorporation of low platinum concentrations within optimized NiFe-MOF structures significantly enhances water electrolysis performance while maintaining economic viability, advancing development of industrial-scale hydrogen generation systems.
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institution Kabale University
issn 2045-2322
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publishDate 2025-08-01
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record_format Article
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spelling doaj-art-c4e14aba02454bbeba191165c39ff1bb2025-08-20T04:02:46ZengNature PortfolioScientific Reports2045-23222025-08-0115112810.1038/s41598-025-08306-6High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system designKenzhebatyr Zh. Bekmyrza0Kairat A. Kuterbekov1Asset M. Kabyshev2Marzhan M. Kubenova3Aliya A. Baratova4Nursultan Aidarbekov5Mesfin Diro Chaka6Natei Ermias Benti7Faculty of Engineering, Caspian University of Technology and Engineering named after Sh.YessenovFaculty of Engineering, Caspian University of Technology and Engineering named after Sh.YessenovFaculty of Engineering, Caspian University of Technology and Engineering named after Sh.YessenovFaculty of Engineering, Caspian University of Technology and Engineering named after Sh.YessenovFaculty of Engineering, Caspian University of Technology and Engineering named after Sh.YessenovFaculty of Engineering, Caspian University of Technology and Engineering named after Sh.YessenovComputational Data Science Program, College of Natural and Computational Sciences, Addis Ababa UniversityComputational Data Science Program, College of Natural and Computational Sciences, Addis Ababa UniversityAbstract Hydrogen energy generation faces challenges in efficiency and economic viability due to reliance on scarce noble metal catalysts. This study aimed to develop platinum-doped nickel-iron metal-organic framework (Pt-NiFe-MOF) catalysts with controlled metal ratios and pore architecture for enhanced water electrolysis. The NiFe-MOF framework was first synthesized via a solvothermal method, which was then subjected to post-synthetic modification to introduce controlled platinum loadings (0.5-2.0 wt%). The pore structure was tuned using a mixed-linker strategy (H₄DOBDC ratios 1:0 to 1:1). Catalysts were characterized using PXRD, HRTEM, BET, XPS, and ICP-OES techniques. Electrochemical performance was analyzed in 1.0 M KOH. A custom-designed integrated electrolysis system at 75 °C assessed practical performance. The Pt-NiFe-MOF-1.0 catalyst with H₄DOBDC ratio of 1:0.5 achieved remarkable effectiveness, requiring overpotentials of only 253 mV for OER and 58 mV for HER when operating at 10 mA/cm². This catalyst featured an optimal pore diameter of 4.2 nm and surface area of 1325 m²/g. DFT calculations revealed platinum incorporation created synergistic effects by modifying hydrogen binding energies. Furthermore, DFT calculations and XPS analysis revealed that the role of platinum in the OER is not direct catalysis, but rather a powerful electronic modulation effect; Pt dopants withdraw electron density from adjacent Ni and Fe centers, promoting the formation of higher-valent Ni³⁺/Fe³⁺ species that are intrinsically more active and lowering the energy barrier for the rate-determining O-O bond formation step. The integrated system achieved 1.62 V at 100 mA/cm² with 75.8% energy efficiency, maintaining stability for 200 h with 15–30 times lower precious metal loading than conventional systems. Strategic incorporation of low platinum concentrations within optimized NiFe-MOF structures significantly enhances water electrolysis performance while maintaining economic viability, advancing development of industrial-scale hydrogen generation systems.https://doi.org/10.1038/s41598-025-08306-6Water electrolysisOxygen evolution reactionMetal-organic frameworksHydrogen evolution reactionElectrocatalysis
spellingShingle Kenzhebatyr Zh. Bekmyrza
Kairat A. Kuterbekov
Asset M. Kabyshev
Marzhan M. Kubenova
Aliya A. Baratova
Nursultan Aidarbekov
Mesfin Diro Chaka
Natei Ermias Benti
High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design
Scientific Reports
Water electrolysis
Oxygen evolution reaction
Metal-organic frameworks
Hydrogen evolution reaction
Electrocatalysis
title High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design
title_full High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design
title_fullStr High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design
title_full_unstemmed High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design
title_short High-performance hydrogen energy generation via innovative metal-organic framework catalysts and integrated system design
title_sort high performance hydrogen energy generation via innovative metal organic framework catalysts and integrated system design
topic Water electrolysis
Oxygen evolution reaction
Metal-organic frameworks
Hydrogen evolution reaction
Electrocatalysis
url https://doi.org/10.1038/s41598-025-08306-6
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AT assetmkabyshev highperformancehydrogenenergygenerationviainnovativemetalorganicframeworkcatalystsandintegratedsystemdesign
AT marzhanmkubenova highperformancehydrogenenergygenerationviainnovativemetalorganicframeworkcatalystsandintegratedsystemdesign
AT aliyaabaratova highperformancehydrogenenergygenerationviainnovativemetalorganicframeworkcatalystsandintegratedsystemdesign
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