Li, Feng; Zhu, Zhonghua; Yao, Xiangdong; Lu, Gaoqing; Zhao, Mingwen; Xia, Yueyuan; Chen, Ying
Ab initio calculations were conducted to investigate the electronic structures and magnetic properties of fluorinated boron nitride nanotube (F-BNNT). It was found that the chemisorption of F atoms on the B atoms of BNNT can induce spontaneous magnetization, whereas no magnetism can be produced when the B and N atoms are equally fluorinated. This provides a different approach to tune the magnetic properties of BNNTs as well as a synthetic route toward metal-free magnetic materials.
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