Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 26, Issue 29, Pages 6662-6669Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.202000243
Keywords
density functional theory; metallic VSe2; power density; quantum capacitance; supercapacitors
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Funding
- Department of Science and Technology (DST)-SERB Early Career Research project [ECR/2017/001850]
- DST-Nanomission [DST/NM/NT/2019/205(G)]
- DST-SHRI [DST/TDT/SHRI-34/2018]
- Karnataka Science and Technology Promotion Society ( KSTePS/VGST-RGS-F/2018-19/GRD) [829/315]
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In this work, the ternary hybrid structure VSe2/SWCNTs/rGO is reported for supercapacitor applications. The ternary composite exhibits a high specific capacitance of 450 F g(-1) in a symmetric cell configuration, with maximum energy density of 131.4 Wh kg(-1) and power density of 27.49 kW kg(-1). The ternary hybrid also shows a cyclic stability of 91 % after 5000 cycles. Extensive density functional theory (DFT) simulations on the structure as well as on the electronic properties of the binary hybrid structure VSe2/SWCNTs and the ternary hybrid structure VSe2/SWCNTs/rGO have been carried out. Due to a synergic effect, there are enhanced density of states near the Fermi level and higher quantum capacitance for the hybrid ternary structure compared to VSe2/SWCNTs, leading to higher energy and power density for VSe2/SWCNTs/rGO, supporting our experimental observation. Computed diffusion energy barrier of electrolyte ions (K+) predicts that ions move faster in the ternary structure, providing higher charge storage performance.
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