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Cluster-model-based design and synthesis for rutile-type Ti-Sn-Nb-Ta-Me-O (Me=Ga, Fe, Cr) high/medium entropy oxides
Journal of Alloys and Compounds ( IF 5.8 ) Pub Date : 2022-08-13 , DOI: 10.1016/j.jallcom.2022.166771
Yue Yu , Shuang Zhan , Shimin Liu , Yuanwen Ren , Zelin Xia , Nan Wang , Hualin Wang , Weiwei Jiang , Chaoqian Liu , Wanyu Ding , Zhihua Zhang , Chuang Dong

High entropy oxides have gained significant interest over the years due to their unique structural characteristics and correlated possibilities for control of functional properties. However, it is hard to forecast their properties and crystal structures due to the enormous inherent complexity and large number of potential combinations that characterize such systems. In this work, the reported high-entropy rutile-type Al-Cr-Nb-Ta-Ti-O system is first analyzed, and then a series of single-phase rutile-type Ti-Sn-Nb-Ta-Me-O (Me = Ga, Fe, Cr) compositionally complex oxides are designed via the cluster-plus-glue-atom model, and finally synthesized successfully by solid-state reaction method. The crystal structure of samples is determined by XRD, and the composition distribution is determined by EDS mapping. Results show that the cluster-plus-glue atom model can effectively guide the synthesis of rutile-structured high/medium entropy oxides with the assistance of geometric calculation, offering the corresponding solutions for the phase instability caused by the different crystal structures of raw materials and adjusting the lattice parameters of rutile structure by selecting various cations.



中文翻译:

基于集群模型的金红石型 Ti-Sn-Nb-Ta-Me-O (Me=Ga, Fe, Cr) 高/中熵氧化物设计与合成

多年来,高熵氧化物因其独特的结构特征和控制功能特性的相关可能性而引起了人们的极大兴趣。然而,由于巨大的固有复杂性和表征此类系统的大量潜在组合,很难预测它们的性质和晶体结构。在这项工作中,首先分析了报道的高熵金红石型 Al-Cr-Nb-Ta-Ti-O 体系,然后是一系列单相金红石型 Ti-Sn-Nb-Ta-Me-O (Me = Ga, Fe, Cr) 组成复杂的氧化物是通过簇加胶原子模型设计的,最后通过固相反应法成功合成。样品的晶体结构由 XRD 确定,组成分布由 EDS 映射确定。

更新日期:2022-08-13
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