Langmuir : the ACS journal of surfaces and colloids
Differently Modified ZnO Monolayers as Key Gas Sensors for Lithium-Ion Thermal Runaway: A DFT Study.
Zengming Qin, ZeJun Xu, BaoKu Wang, You Li, HongWei Ding, JingXiang Zhao
Published: 202510.1021/acs.langmuir.5c05370
Abstract
To address the demand for rapid detection of toxic gases (C2H2, C2H4, CH4 and H2) released during lithium-ion batteries (LIBs) thermal runaway, this study uses first-principles calculations to investigate adsorption behavior. First, two modification…
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