Local coordination of Fe3+ in ZnO nanoparticles: multi-frequency electron paramagnetic resonance (EPR) and Newman superposition model analysis
Local coordination of Fe3+ in ZnO nanoparticles: multi-frequency electron paramagnetic resonance (EPR) and Newman superposition model analysis
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DOI：
10.1088/0953-8984/26/15/155803
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发表时间：
2014-04-16
影响因子：
2.7
通讯作者：
Erdem, Emre
中科院分区：
文献类型：
--
作者：
Acikgoz, Muhammed;Drahus, Michael D.;Erdem, Emre
采用共沉淀法制备了铁掺杂氧化锌纳米粒子，并对其进行了高能球磨。研磨15分钟后，获得了平均尺寸低至40 nm的细颗粒。Fe 3+阳离子已被纳入到ZnO晶格的溶解度的限制内。用多频高场电子顺磁共振（EPR）方法，我们解决了S = 5/2高自旋系统的所有电子跃迁，并精确地确定了EPR自旋哈密顿参数。结合晶体学X射线衍射和电子顺磁共振的数据和半经验的纽曼叠加模型，我们找到了Fe ~（3+）的局域组态位置，证实了晶格的对称性。结果表明，Fe离子很可能取代ZnO中的Zn位。在纳米尺寸的Fe 3+阳离子的表面上的效果变得显着：额外的尺寸效应，可以观察到在EPR谱，这是不同的光谱的散装。
Iron-doped ZnO nanoparticles have been synthesized through high-energy ball milling of powders produced by the co-precipitation method. Fine particles with an average size down to 40 nm have been obtained after 15 min of milling. Fe3+ cations have been incorporated into the ZnO lattice within the limits of the solubility. By using multi-frequency and high-field electron paramagnetic resonance (EPR) we have resolved all electronic transitions for the S = 5/2 high-spin system and have accurately determined the EPR spin-Hamiltonian parameters. By combining data from crystallographic x-ray diffraction and EPR with the semi-empirical Newman superposition model we have found the local configurational position of Fe3+ and have confirmed the symmetry of the lattice. Results presented in this paper indicate that Fe cations most probably substitute at Zn-sites in ZnO. At nanosizes the effect of Fe3+ cations on the surface becomes remarkable: additional size effects can be observed in the EPR spectrum, which are different from the spectrum of bulk.