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Al2O3/ZnO composite-based sensors for battery safety applications: An experimental and theoretical investigation

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dc.contributor.author SANTOS-CARBALLAL, David
dc.contributor.author LUPAN, Oleg
dc.contributor.author MAGARIU, Nicolae
dc.contributor.author ABABII, Nicolai
dc.contributor.author KRÜGER, Helge
dc.contributor.author BODDULURI, Mani Teja
dc.contributor.author LEEUW, Nora H. de
dc.contributor.author HANSEN, Sandra
dc.contributor.author ADELUNG, Rainer
dc.date.accessioned 2023-11-08T11:15:38Z
dc.date.available 2023-11-08T11:15:38Z
dc.date.issued 2023
dc.identifier.citation SANTOS-CARBALLAL, David, LUPAN, Oleg, MAGARIU, Nicolae et al. Al2O3/ZnO composite-based sensors for battery safety applications: An experimental and theoretical investigation. In: Nano Energy. 2023, vol. 109. p. 108301. ISSN 2211-2855. en_US
dc.identifier.issn 2211-2855
dc.identifier.uri https://doi.org/10.1016/j.nanoen.2023.108301
dc.identifier.uri http://repository.utm.md/handle/5014/24684
dc.description Acces full text - https://doi.org/10.1016/j.nanoen.2023.108301 en_US
dc.description.abstract Lithium-ion batteries are vital in one of the key nanotechnologies required for the transition to a carbon-free society. As such, they are under constant investigation to improve their performance in terms of energy and power densities. At the same time, safety monitoring is crucial, as defects in the battery cell can lead to serious safety risks such as fires and explosions as a result of the enormous heat generated in the electrolyte, causing the release of toxic and flammable gases in the so-called thermal runaway. Therefore, early and rapid detection of the gases that form before thermal runaway is of particular interest. To this end, solid-state sensors based on new heterostructured materials have gained interest owing to their high stability and versatility when used in the harsh battery environment. In this work, heterostructures based on semiconductor oxides are employed as sensors for typical components of battery electrolytes and their decomposition products. The sensors showed a significant response to vapors produced by battery solvents or degassing products, making them perfect candidates for the development of successful new prototypes for safety monitoring. Here, we have used a simple and versatile method to fabricate the Al2O3/ZnO heterostructure, consisting of atomic layer deposition (ALD) and thermal annealing steps. These Al2O3/ZnO heterostructures have shown a response to the vapours of 1,3-dioxolane (DOL, C3H6O2), 1,2-dimethoxyethane (DME, C4H10O2), LiPF6, ethylene carbonate (EC) and dimethyl carbonate (DMC), which are typically used as components of the electrolytes in LIBs. The sensors showed a significant response to vapors produced by battery solvents or degassing products, significantly increasing the chances of developing new successful prototypes for safety monitoring. Density functional theory (DFT) calculations were employed to systematically compare the surface reactivity of the α-Al2O3(0001) and the ZnO(1010) facets, as well as the Al2O3/ZnO(1010) interface, towards C3H6O2, C4H10O2, nitrogen dioxide (NO2) and phosphorous pentafluoride (PF5), in addition to H2O to assess the impact of relative humidity on the performance of the gas detector. The scanning tunnelling microscopy (STM) images and molecular binding energies compare well with our experiments. The energies of molecular adsorption at the heterostructure suggest that humidity will not affect the detection of the volatile organic compounds. The results presented here show that the potential to detect vapors of the components used in the electrolytes of LIBs, combined with the size control provided by the synthesis method, makes these heterostructures extremely attractive in devices to monitor battery safety. en_US
dc.language.iso en en_US
dc.publisher Elsevier en_US
dc.rights Attribution-NonCommercial-NoDerivs 3.0 United States *
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/us/ *
dc.subject zinc oxide en_US
dc.subject heterojunctions en_US
dc.subject battery safety en_US
dc.subject gas sensing en_US
dc.title Al2O3/ZnO composite-based sensors for battery safety applications: An experimental and theoretical investigation en_US
dc.type Article en_US


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