Unraveling the poisoning mechanism of impurity gases on TiFe hydrogen storage alloys
Source abstract
Abstract
TiFe alloys are AB-based hydrogen storage materials with unique characteristics and a wide range of applications. However, the presence of impurity gases (such as O2, CO, CO2, and CH4) has a considerable impact on the hydrogen storage capacity and kinetics of TiFe alloys, drastically limiting their practical application in hydrogen storage. Consequently, in this study, we investigated the hydrogen absorption kinetics and cycling performance of the TiFe0.9alloy in the presence of common impurity gases (including CH4, CO, CO2, and O2) and determined the corresponding poisoning mechanisms. Specifically, we found that CH4did not react with the alloy but acted through physical coverage. In contrast, CO and CO2occupy the active sites for H2, significantly impeding the dissociation and absorption of H2. In addition, O2reacts directly with the alloy to form a passivating layer that prevents hydrogen absorption. These findings were further corroborated byin situFourier transform infrared spectrometry (FTIR) and density functional theory (DFT). The relationship between the adsorption energies of the impurity gases and hydrogen obtained through DFT calculations complements the experimental results. Understanding these poisoning behaviors is crucial for designing Ti-based high-entropy hydrogen storage alloy alloys with enhanced resistance to poisoning.
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Research context
OpenAlex topics: Hydrogen Storage and Materials · Metalloenzymes and iron-sulfur proteins · Electrocatalysts for Energy Conversion
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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