Structural, DFT and redox activity investigation of 2D silver based MOF for energy storage devices
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Tarih
2024
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Science Sa
Erişim Hakkı
info:eu-repo/semantics/closedAccess
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 (Q s ), 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 difference in R ct and R i which revealed that Ag -MOF had great ability to store energy. Presence of semi-circular arc in the EIS spectrum directly dictates the supercapacitor behavior. The electrode showed 97.5 % cyclic stability after 5000 cycles.
Açıklama
Anahtar Kelimeler
Silver (I) 2D MOF, Cyclic stability, DFT and FMOs computation, Energy density, Power density
Kaynak
Journal of Electroanalytical Chemistry
WoS Q Değeri
Q1
Scopus Q Değeri
Q1
Cilt
961
