The adsorption of oxygen on a pseudomorphic iron monolayer deposited on a W(110) surface was studied experimentally and theoretically. Standard surface characterization methods, such as Auger electron spectroscopy and low energy electron diffraction, and specific nuclear methods, such as conversion electron Mössbauer spectroscopy (CEMS) and nuclear resonant scattering of synchrotron radiation, combined with theoretical calculations based on the density functional theory allowed us to determine the structure of the oxygen adsorbate and the electronic properties of iron atoms with different oxygen coordinations. The oxygen-(3 × 2) structure on the iron monolayer was recognized and was interpreted to be a state with oxygen chemisorbed on the non-reconstructed surface with modest electron transfer from iron to oxygen. A transition from chemisorbed oxygen to the onset of Fe-oxidation is revealed by distinct changes in the CEMS spectra.

中文翻译：

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W(110) 上 Fe 单层上的氧：从化学吸附到氧化

通过实验和理论研究了沉积在 W(110) 表面上的假晶铁单层对氧的吸附。标准表面表征方法，如俄歇电子能谱和低能电子衍射，以及特定的核方法，如转换电子穆斯堡尔能谱 (CEMS) 和同步加速器辐射核共振散射，与基于密度泛函理论的理论计算相结合，使我们能够确定氧吸附物的结构和具有不同氧配位的铁原子的电子性质。铁单层上的氧-(3×2)结构被识别，并被解释为氧化学吸附在非重构表面上的状态，具有从铁到氧的适度电子转移。CEMS 光谱的明显变化揭示了从化学吸附氧到铁氧化开始的转变。