Materials Design, Sensing Performance and Mechanism of Anhydrous Hydrogen Fluoride Gas Sensor Based on Amino-Functionalized MIL-101(Cr) for New Energy Vehicles

To guarantee the security of new energy vehicles (NEV), which include energy storage devices such as batteries, a quartz crystal microbalance (QCM) sensor was designed to detect online the HF gas produced from the leakage of electrolyte in the power system. Based on the chemical properties of HF gas, an amino-functionalized metal–organic framework NH2-MIL-101 (Cr) was synthesized as a sensing material of a QCM transducer to detect HF gas for NEV safeguard. The sensing materials are designed based on the hydrogen bond interaction between the amino group and HF molecular and were characterized by powder X-ray diffraction, Brunauer–Emmett–Teller (BET) surface area analysis, Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA), etc. The performance of this sensor showed high sensitivity, with a limit of detection at 500 ppb, short response/recovery time and good reproducibility for anhydrous hydrogen fluoride (AHF) detection. Additionally, the sensing mechanism of NH2-MIL-101(Cr) QCM resonator to AHF is revealed to be reversible chemical adsorption by Gaussian 09. It is well-matched with a result of experimental determination through temperature-varying microgravimetric experiments. Therefore, the amino-functionalized MIL-101(Cr) QCM resonator may be a good candidate for an NEV safety monitor due to its rapid response to HF leaked from the decomposition of the electrolyte.