Structural, DFT and redox activity investigation of 2D silver based MOF for energy storage devices
Yazarlar (9)
Shahzad Sharif
Government College University Lahore, Pakistan
Government College University Lahore, Pakistan
Javed Hussain Shah
Government College University Lahore, Pakistan
Government College University Lahore, Pakistan
Muhammad Shahbaz
Government College University Lahore, Pakistan
Government College University Lahore, Pakistan
Bilal Riaz
Government College University Lahore, Pakistan
Government College University Lahore, Pakistan
Sundas Shahzad
Government College University Lahore, Pakistan
Government College University Lahore, Pakistan
Ayesha Shahzad
Government College University Lahore, Pakistan
Government College University Lahore, Pakistan
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Hijaz Ahmad Università Telematica Internazionale Unınettuno, İtalya
Essam A. Al-Ammar
King Saud University, Suudi Arabistan
King Saud University, Suudi Arabistan
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Electroanalytical Chemistry (Q1) | ||
| Dergi ISSN | 1572-6657 Dergi Bilgileri (2024) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2024 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-05-2024 |
| Cilt / Sayı / Sayfa | 961 / 1 / 118226–0 | DOI | 10.1016/j.jelechem.2024.118226 |
| Makale Linki | https://doi.org/10.1016/j.jelechem.2024.118226 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| A new silver(I) 2D MOF (Ag-MOF) was synthesized from 3,4-pyridinedicarboxylic acid (PDCA) by sonication method and characterized by single crystal X-ray diffraction, elemental analysis and FTIR spectroscopy. The material was further utilized for DFT computation and electrochemical performance. Theoretical and practical results for Ag-MOF geometrical parameters were found to be in reasonable agreement. Small HOMO-LUMO energy distance of 0.47 eV confirmed that electron transfer was much feasible. Distribution of electron isodensities was elaborated by DFT and FMOs computation. Double redox peaks in CV voltammograms reflected the change in oxidation state. Multiple plateaus in GCD curves showed the pseudo-capacitive behavior. Ag-MOF exhibited 101 Cg−1 specific capacity (Qs), 123 Wh.kg−1 energy density and 12,960 W kg−1 power density at current density of 5 Ag−1. There was a small … |
| Anahtar Kelimeler |
| Cyclic stability | DFT and FMOs computation | Energy density | Power density | Silver (I) 2D MOF |
Science Direct
Structural, DFT and redox activity investigation of 2D silver based MOF for energy storage devices
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 20 |
| Scopus | 20 |
| Google Scholar | 22 |