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MM: Fachverband Metall- und Materialphysik

MM 50: Focus Session: Battery Materials – Ion Transport, Impurity Effects and Modelling (joint session KFM/MM)

MM 50.5: Talk

Thursday, March 21, 2024, 11:00–11:20, EMH 225

Remodeling interfacial electrical field for superhigh capacity and ultralong lifespan aqueous zinc-ion batteries — •Yan Ran¹, Yude Wang², Huaping Zhao¹, and Yong Lei¹ — ¹Fachgebiet Angewandte Nanophysik, Institut für Physik & IMN MacroNano, Technische Universität Ilmenau, 98693 Ilmenau, Germany — ²Yunnan Key Laboratory of Carbon Neutrality and Green Low-carbon Technologies, Yunnan University, 650091 Kunming, China

Herein, density functional theory (DFT) calculations studied the NH4V4O10@carbon cloth (NVO@CC) as a high-performance cathode material at the heterostructure interface for AZIBs. The electronic structure, adsorption energy, and migration energy barrier prove there are additional active sites at the interface due to the built-in electric field between NVO and CC, which improves the conductivity and stability of the NVO@CC electrode material. Accordingly, the designed binder-free NVO@CC cathode exhibits high specific capacity (607.1 mAh/g at 0.1 A/g), an outstanding energy density (443.6 Wh/kg at 0.3 A/g), and an excellent long-term cyclability (the capacity retention rate is 81.24% after 10,000 ultra-long cycles at 5 A/g). This excellent electrochemical performance is attributed to enhanced conductivity and fast electrochemical kinetics by a series of ex-situ characterizations. This work reveals a binder-free self-grown flexible cathode on carbon cloth, which is promising for high-performance aqueous zinc ion batteries.

Keywords: ammonium vanadium bronze; built-in electrical field; aqueous zinc-ion batteries; heterostructures interface; density functional theory