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Surface versus Bulk Defect-Related Properties of the Wüstite Phase (FeO) in Gas/Solid Equilibrium
ACS Applied Energy Materials ( IF 6.4 ) Pub Date : 2020-09-25 , DOI: 10.1021/acsaem.0c01454
Janusz Nowotny 1 , Tadeusz Bak 1
Affiliation  

This work determined isothermal work function (WF) changes as a function of oxygen activity, p(O2), for the Fe–O2 system within the stability range of the FeO phase at elevated temperatures (948 K–1223 K). The slope of the WF changes versus log p(O2), which represents a defect-related quantity for the surface layer, mΦ, is compared with a similar defect-related factor for the bulk phase of FeO. The plot of the mΦ factor as a function of temperature indicates that long-range interactions between defects within the surface layer result in the formation of a low-dimensional quasi-isolated surface structure (QISS) that resembles the structures already observed for other metal oxides, such as NiO, CoO, and ZrO2. The interactions between defects within the QISS increase with the decrease of temperature. The proposed theoretical model considers the effect of segregation of intrinsic defects on surface composition in terms of the iron-to-oxygen ratio. Derivation of a specific defect disorder for the outer surface layer requires determination of the local crystalline structure of the QISS.

中文翻译:

气态/固态平衡态中白钨相(FeO)的表面与本体缺陷相关的特性

这项工作确定了在高温下(948 K–1223 K)FeO相的稳定范围内,Fe–O 2系统的等温功函数(WF)作为氧活度p(O 2)的函数而变化。在WF的斜率改变对log p(O 2),其表示用于表面层,缺陷相关量Φ,与用于的FeO的本体相类似的缺陷相关的因子进行比较。的情节Φ随温度变化的系数表明表面层内缺陷之间的长期相互作用导致形成低维准隔离表面结构(QISS),该结构类似于已经观察到的其他金属氧化物(如NiO)的结构, CoO和ZrO 2。QISS内部缺陷之间的相互作用随着温度的降低而增加。提出的理论模型考虑到铁氧比,考虑了固有缺陷偏析对表面成分的影响。推导外表面层的特定缺陷紊乱需要确定QISS的局部晶体结构。
更新日期:2020-10-26
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