Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study
Electrochemical energy storage plays a critical role in the transition to clean energy. With the growing demand for efficient and sustainable energy solutions, supercapacitors have gained significant attention due to their high specific capacitance, rapid charge/discharge capabilities, long lifespan...
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Elsevier
2025-01-01
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844024172921 |
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| author | Elahe Torabi Amir Kazemi Mohsen Tamtaji Faranak Manteghi Sohrab Rohani William A. Goddard |
| author_facet | Elahe Torabi Amir Kazemi Mohsen Tamtaji Faranak Manteghi Sohrab Rohani William A. Goddard |
| author_sort | Elahe Torabi |
| collection | DOAJ |
| description | Electrochemical energy storage plays a critical role in the transition to clean energy. With the growing demand for efficient and sustainable energy solutions, supercapacitors have gained significant attention due to their high specific capacitance, rapid charge/discharge capabilities, long lifespan, safe operation across various temperatures, and minimal maintenance needs. This study introduces a novel approach for the synthesis of high-performance supercapacitor electrodes by using MnNi-MOF-74 as a precursor. Bimetallic Mn(OH)₂/Ni(OH)₂ hydroxides (MnNi-x, where x = 2, 6, 12) with tailored morphologies were successfully fabricated by treating MnNi-MOF-74 anchored on nickel foam with different concentrations of KOH. Among the various synthesized samples, MnNi-6 exhibited the best performance, with a remarkable specific capacitance of 4031.51 mF cm⁻2 at 2 mA cm⁻2, attributed to its high surface area of 186 m2/g, optimized particle size, and abundant micropores. Furthermore, MnNi-6 demonstrated exceptional thermal stability, positioning it as a promising candidate for high-temperature supercapacitors. It also exhibited excellent cycling stability, retaining 86.34 % of its capacity after 10,000 cycles at 10 mA cm⁻2, highlighting its remarkable durability. Density functional theory (DFT) calculations were conducted to explore the quantum capacitance of the bimetallic hydroxide. The DFT results revealed electron density near the Fermi level, which directly contributes to the high quantum capacitance of Mn(OH)₂/Ni(OH)₂ with a Mn:Ni molar ratio of 3:1. This work underscores the potential of MOF-derived materials as a promising route for the development of high-performance supercapacitor electrodes, paving the way for future advances in electrochemical energy storage technologies. |
| format | Article |
| id | doaj-art-fe8d0b330a5e43b186dbf346a530893e |
| institution | Kabale University |
| issn | 2405-8440 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj-art-fe8d0b330a5e43b186dbf346a530893e2025-01-17T04:50:41ZengElsevierHeliyon2405-84402025-01-01111e41261Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance studyElahe Torabi0Amir Kazemi1Mohsen Tamtaji2Faranak Manteghi3Sohrab Rohani4William A. Goddard5Research Laboratory of Inorganic Chemistry and Environment, Department of Chemistry, Iran University of Science and Technology, 16846-13114, Tehran, IranResearch Laboratory of Inorganic Chemistry and Environment, Department of Chemistry, Iran University of Science and Technology, 16846-13114, Tehran, Iran; Department of Chemical and Biochemical Engineering, Western University, London, ON, N6A 5B9 CanadaDepartment of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran, IranResearch Laboratory of Inorganic Chemistry and Environment, Department of Chemistry, Iran University of Science and Technology, 16846-13114, Tehran, Iran; Corresponding author.Department of Chemical and Biochemical Engineering, Western University, London, ON, N6A 5B9 CanadaMaterials and Process Simulation Center, California Institute of Technology, Pasadena, CA, 91125, USAElectrochemical energy storage plays a critical role in the transition to clean energy. With the growing demand for efficient and sustainable energy solutions, supercapacitors have gained significant attention due to their high specific capacitance, rapid charge/discharge capabilities, long lifespan, safe operation across various temperatures, and minimal maintenance needs. This study introduces a novel approach for the synthesis of high-performance supercapacitor electrodes by using MnNi-MOF-74 as a precursor. Bimetallic Mn(OH)₂/Ni(OH)₂ hydroxides (MnNi-x, where x = 2, 6, 12) with tailored morphologies were successfully fabricated by treating MnNi-MOF-74 anchored on nickel foam with different concentrations of KOH. Among the various synthesized samples, MnNi-6 exhibited the best performance, with a remarkable specific capacitance of 4031.51 mF cm⁻2 at 2 mA cm⁻2, attributed to its high surface area of 186 m2/g, optimized particle size, and abundant micropores. Furthermore, MnNi-6 demonstrated exceptional thermal stability, positioning it as a promising candidate for high-temperature supercapacitors. It also exhibited excellent cycling stability, retaining 86.34 % of its capacity after 10,000 cycles at 10 mA cm⁻2, highlighting its remarkable durability. Density functional theory (DFT) calculations were conducted to explore the quantum capacitance of the bimetallic hydroxide. The DFT results revealed electron density near the Fermi level, which directly contributes to the high quantum capacitance of Mn(OH)₂/Ni(OH)₂ with a Mn:Ni molar ratio of 3:1. This work underscores the potential of MOF-derived materials as a promising route for the development of high-performance supercapacitor electrodes, paving the way for future advances in electrochemical energy storage technologies.http://www.sciencedirect.com/science/article/pii/S2405844024172921MOF-74Bimetallic hydroxideSupercapacitorDFT calculations |
| spellingShingle | Elahe Torabi Amir Kazemi Mohsen Tamtaji Faranak Manteghi Sohrab Rohani William A. Goddard Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study Heliyon MOF-74 Bimetallic hydroxide Supercapacitor DFT calculations |
| title | Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study |
| title_full | Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study |
| title_fullStr | Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study |
| title_full_unstemmed | Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study |
| title_short | Sacrificial MOF-derived MnNi hydroxide for high energy storage supercapacitor electrodes via DFT-based quantum capacitance study |
| title_sort | sacrificial mof derived mnni hydroxide for high energy storage supercapacitor electrodes via dft based quantum capacitance study |
| topic | MOF-74 Bimetallic hydroxide Supercapacitor DFT calculations |
| url | http://www.sciencedirect.com/science/article/pii/S2405844024172921 |
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