Half-Metallicity in Single-Layered Manganese Dioxide Nanosheets by Defect Engineering
Half-Metallicity in Single-Layered Manganese Dioxide Nanosheets by Defect Engineering
复制标题
通过缺陷工程实现单层二氧化锰纳米片的半金属性
DOI：
10.1002/anie.201410031
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发表时间：
2015-01-19
影响因子：
16.6
通讯作者：
Xie, Yi
中科院分区：
文献类型：
--
作者：
Wang, Hui;Zhang, Jiajia;Xie, Yi
缺陷工程被认为是调节材料电子结构的最有效策略之一，涉及对缺陷的类型、浓度和空间分布的操纵，从而产生前所未有的性能。结果表明，具有空位的单层MnO2纳米片是一个强大的半金属，这是由理论计算证实，而无空位的单层MnO2是一个典型的半导体。半金属性的单层MnO2纳米片可以观察到一个广泛的空位浓度，甚至在Mn和O空位的共同存在。这项工作能够通过对成熟的低维材料进行缺陷工程来开发半金属，这可用于下一代纸质自旋电子学的设计。
Defect engineering is considered as one of the most efficient strategies to regulate the electronic structure of materials and involves the manipulation of the types, concentrations, and spatial distributions of defects, resulting in unprecedented properties. It is shown that a single-layered MnO2 nanosheet with vacancies is a robust half-metal, which was confirmed by theoretical calculations, whereas vacancy-free single-layered MnO2 is a typical semiconductor. The half-metallicity of the single-layered MnO2 nanosheet can be observed for a wide range of vacancy concentrations and even in the co-presence of Mn and O vacancies. This work enables the development of half-metals by defect engineering of well-established low-dimensional materials, which may be used for the design of next-generation paper-like spintronics.