吸附
分子
氧化物
化学物理
熵(时间箭头)
密度泛函理论
材料科学
价(化学)
电化学
组态熵
晶体结构
化学
纳米技术
无机化学
热力学
物理化学
计算化学
电极
冶金
结晶学
物理
有机化学
作者
Xinchao Li,Xiao Chang,Xianghong Liu,Jun Zhang
摘要
High-entropy oxides (HEOs) with a multi-cation structure have attracted significant attention in the fields of electrochemistry owing to their high entropy stability and cocktail effect. However, there has been very limited research on the use of HEO in the field of sensing. In this work, we utilized FeCoNiCrMn high-entropy alloys as the precursor to synthesize (FeCoNiCrMn)3O4 HEO and investigated their crystal structure, microscopic morphology, elemental valence state information, and gas sensing performance. The sensor exhibited decent response to NO2 at room temperature (RT) without any modification or sensitization methods. To verify the gas sensing mechanism, we simulated the interaction between five metal elements in HEO and the NO2 molecules by density functional theory, which reveals a crucial synergistic effect from the multiple cations to enhance the adsorption and charge transfer of NO2 molecules. This work explores the application potential of (FeCoNiCrMn)3O4 in low-power gas sensors and enriches the material selection for RT sensors.
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