دورية أكاديمية
Investigation of Zn-to-Co Chemometric Ratio in Zinc Cobaltite Spinel as Battery-Type Superior Redox-Active Electrodes for Hybrid Supercapacitors: Density Functional Theory Analysis
| العنوان: | Investigation of Zn-to-Co Chemometric Ratio in Zinc Cobaltite Spinel as Battery-Type Superior Redox-Active Electrodes for Hybrid Supercapacitors: Density Functional Theory Analysis |
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| المؤلفون: | Adesh Prasad, Mohit Dilip Borse, Gutturu Rajasekhara Reddy, Mohammad Asif, Sang Woo Joo, Gowra Raghupathy Dillip |
| سنة النشر: | 2024 |
| مصطلحات موضوعية: | Biophysics, Medicine, Biotechnology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, type superior redox, ray photoelectron spectroscopy, ray diffraction analysis, four different samples, assisted hydrothermal method, among four samples, 168 kw kg, enhanced electrochemical performance, electrochemical energy storage, 5 – 4, density functional theory, binary metal oxides, zinc cobaltite spinel, hybrid supercapacitor device, four zco samples, achieving optimized nonstoichiometry, 5 c g, 4 , 0 – 4, co chemometric ratio, −)- deficient znco, 2 , zinc cobaltite, p < |
| الوصف: | Engineering nonstoichiometric metal ions in the binary metal oxides is gaining importance in electrochemical energy storage and conversion devices. Zinc cobaltite (ZnCo 2 O 4 ), a p -type spinel structure, has been stringently applied in these fields. In this work, the chemometric ratios of metal ions (Zn and Co) are varied, and the impact of this nonstoichiometry on the electronic structure-modified ZnCo 2 O 4 and its effect on the electrochemical properties are studied in detail. The experiment uses the microwave-assisted hydrothermal method to vary the metal precursor to get the desired nonstoichiometry between Zn and Co in the ZnCo 2 O 4 binary metal oxides. A set of four different samples is prepared by varying the Zn–Co precursor stoichiometric concentrations as 0.5–4, 1.0–4, 1.5–4, and 2.0–4, respectively. These four ZCO samples are first confirmed by X-ray diffraction analysis, followed by refining the structures to determine the nonstoichiometries of the elements and supported by X-ray photoelectron spectroscopy. Density functional theory is applied to determine the electronic structure of ZnCo 2 O 4 with fully stoichiometric (bulk or no vacancy), three different, single-atom (Zn–, O−)- and dual atom (Zn– and O−)-deficient ZnCo 2 O 4 and compared. Among four samples, ZCO-1.5–4 and ZCO-2.0–4 are constructed in a hybrid supercapacitor device for practical application. The optimum ZCO-1.5–4 with Zn- and O-deficiency electrodes has shown better specific capacity (312.5 C g –1 at 1 A g –1 ), energy density (49.4 W h kg –1 ), and power density (10.168 kW kg –1 ) than other electrodes. Therefore, the work will provide a database for constructing various chemometric ratios of binary metal oxides for achieving optimized nonstoichiometry for the enhanced electrochemical performance of the practical device. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | unknown |
| العلاقة: | https://figshare.com/articles/journal_contribution/Investigation_of_Zn-to-Co_Chemometric_Ratio_in_Zinc_Cobaltite_Spinel_as_Battery-Type_Superior_Redox-Active_Electrodes_for_Hybrid_Supercapacitors_Density_Functional_Theory_Analysis/25050617Test |
| DOI: | 10.1021/acs.jpcc.3c07303.s001 |
| الإتاحة: | https://doi.org/10.1021/acs.jpcc.3c07303.s001Test https://figshare.com/articles/journal_contribution/Investigation_of_Zn-to-Co_Chemometric_Ratio_in_Zinc_Cobaltite_Spinel_as_Battery-Type_Superior_Redox-Active_Electrodes_for_Hybrid_Supercapacitors_Density_Functional_Theory_Analysis/25050617Test |
| حقوق: | CC BY-NC 4.0 |
| رقم الانضمام: | edsbas.91EFD960 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1021/acs.jpcc.3c07303.s001 |
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